Norleucine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Norleucine
Accession Number
DB15458
Description

Norleucine is under investigation in clinical trial NCT00081952 (Amino Acid Therapy for Hot Flashes in Postmenopausal Women).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 131.1729
Monoisotopic: 131.094628665
Chemical Formula
C6H13NO2
Synonyms
  • L-NORLEUCINE

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half-life
Not Available
Clearance
Not Available
Adverse Effects
Learn about our commercial Adverse Effects data.
Learn More
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified

Chemical Identifiers

UNII
832C8OV84S
CAS number
327-57-1
InChI Key
LRQKBLKVPFOOQJ-YFKPBYRVSA-N
InChI
InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
IUPAC Name
(2S)-2-aminohexanoic acid
SMILES
CCCC[C@H](N)C(O)=O

References

General References
Not Available
Human Metabolome Database
HMDB0001645
KEGG Compound
C01933
ChemSpider
19964
ChEBI
18347
ChEMBL
CHEMBL292439
ZINC
ZINC000001529322
PDBe Ligand
NLE
Wikipedia
Norleucine
PDB Entries
1b7h / 1cfn / 1d5e / 1eol / 1f3r / 1fgl / 1hd9 / 1hth / 1jb6 / 1mmt
show 117 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentHot Flushes1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility89.2 mg/mLALOGPS
logP-1.7ALOGPS
logP-1.4ChemAxon
logS-0.17ALOGPS
pKa (Strongest Acidic)2.79ChemAxon
pKa (Strongest Basic)9.53ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity34.22 m3·mol-1ChemAxon
Polarizability14.46 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)GC-MSsplash10-0a4i-0900000000-b9e660e9ed085e0a2756
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)GC-MSsplash10-0a4i-0900000000-363d31fc4a3b15b97b49
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)GC-MSsplash10-000i-9200000000-786e1c364f918e406c7f
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)GC-MSsplash10-0a4i-0900000000-7c99693c3cc849290ecd
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)GC-MSsplash10-05fr-8900000000-3cf84aa3585ea0262b9a
GC-MS Spectrum - GC-MS (1 TMS)GC-MSsplash10-000i-9200000000-d5ef9dd4b8be3c55a58f
GC-MS Spectrum - GC-MS (2 TMS)GC-MSsplash10-0a4i-0900000000-df2e472e3bd858c871d0
GC-MS Spectrum - GC-MS (3 TMS)GC-MSsplash10-001i-0391000000-a01428088011045cef83
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - EI-BGC-MSsplash10-000i-9100000000-1fddf89f6ec7f4b5cfbe
GC-MS Spectrum - EI-BGC-MSsplash10-0a4i-0910000000-5eb6c8571ebbad86fac9
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0a4i-0900000000-b9e660e9ed085e0a2756
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0a4i-0900000000-363d31fc4a3b15b97b49
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-000i-9200000000-786e1c364f918e406c7f
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-05fr-8900000000-3cf84aa3585ea0262b9a
GC-MS Spectrum - GC-MSGC-MSsplash10-0a4i-0900000000-df2e472e3bd858c871d0
GC-MS Spectrum - GC-MSGC-MSsplash10-001i-0391000000-a01428088011045cef83
GC-MS Spectrum - GC-MSGC-MSsplash10-000i-9200000000-d5ef9dd4b8be3c55a58f
MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)LC-MS/MSsplash10-000i-9100000000-b124c751376d5dfa51a5
MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)LC-MS/MSsplash10-00ku-9000000000-734efe7e83b2a5a46f00
MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)LC-MS/MSsplash10-0006-9000000000-ac9b87f3b366d1310113
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, NegativeLC-MS/MSsplash10-001i-0900000000-6cc58ea175a3d1492868
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, NegativeLC-MS/MSsplash10-001i-0900000000-95aa6e4bfc4283439983
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, NegativeLC-MS/MSsplash10-004i-3900000000-b75779678a92cd599f0c
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, PositiveLC-MS/MSsplash10-0019-9800000000-ee386f888d7ea62be255
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, PositiveLC-MS/MSsplash10-000i-9000000000-93d53170f5b18b6e157c
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, PositiveLC-MS/MSsplash10-00kr-9000000000-8abbc9ef83fc8fdd973c
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, PositiveLC-MS/MSsplash10-0006-9000000000-39712cf46e67bc1458fb
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, PositiveLC-MS/MSsplash10-0006-9000000000-219a42048a733f3d5a23
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , PositiveLC-MS/MSsplash10-000i-9000000000-2d321cebc7950b90d6b1
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V, PositiveLC-MS/MSsplash10-00kr-9200000000-916e946734d7c51678df
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , NegativeLC-MS/MSsplash10-001i-0900000000-bc56a19fa8c09e226543
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-001i-0900000000-6cc58ea175a3d1492868
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-001i-0900000000-95aa6e4bfc4283439983
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-004i-3900000000-b75779678a92cd599f0c
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-001i-0900000000-bc56a19fa8c09e226543
MS/MS Spectrum - , negativeLC-MS/MSsplash10-001i-0900000000-092c22a76d9d673f6ef9
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0019-9800000000-4de0171c5024396cbd77
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-000i-9000000000-93d53170f5b18b6e157c
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-00kr-9000000000-91abd9e20ea48e2947d8
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0006-9000000000-39712cf46e67bc1458fb
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0006-9000000000-219a42048a733f3d5a23
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-9000000000-2d321cebc7950b90d6b1
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-00kr-9200000000-916e946734d7c51678df
MS/MS Spectrum - , positiveLC-MS/MSsplash10-000i-9000000000-84577ac365a069626c74
1H NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable

Drug created on May 20, 2019 09:35 / Updated on June 12, 2020 10:53