Ornithine aspartateProduct ingredient for Ornithine

Name
Ornithine aspartate
Drug Entry
Ornithine

Produced during the urea cycle, ornithine is an amino acid produced from the splitting off of urea from arginine. L-Ornithine allows for the disposal of excess nitrogen and acts as a precursor of citrulline and arginine.

Accession Number
DBSALT002898  (DB15577)
Structure
Synonyms
Ornithine L-form aspartate
UNII
JA08T3B97O
CAS Number
3230-94-2
Weight
Average: 265.266
Monoisotopic: 265.127385344
Chemical Formula
C9H19N3O6
InChI Key
IXUZXIMQZIMPSQ-ZBRNBAAYSA-N
InChI
InChI=1S/C5H12N2O2.C4H7NO4/c6-3-1-2-4(7)5(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,6-7H2,(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)/t4-;2-/m00/s1
IUPAC Name
(4S)-4-amino-4-carboxybutan-1-aminium (2S)-2-amino-3-carboxypropanoate
SMILES
N[C@@H](CCC[NH3+])C(O)=O.N[C@@H](CC(O)=O)C([O-])=O
ChemSpider
17566
Predicted Properties
PropertyValueSource
Water Solubility4.97 mg/mLALOGPS
logP-3.9ALOGPS
logP-3.7Chemaxon
logS-1.7ALOGPS
pKa (Strongest Acidic)2.67Chemaxon
pKa (Strongest Basic)10.29Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area90.96 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity44.5 m3·mol-1Chemaxon
Polarizability14.28 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon