Phenylalanine hydrochlorideProduct ingredient for Phenylalanine

Name
Phenylalanine hydrochloride
Drug Entry
Phenylalanine

Phenylalanine is an essential aromatic amino acid that is a precursor of melanin, dopamine, noradrenalin (norepinephrine), and thyroxine.

Accession Number
DBSALT001774
Structure
Thumb
Synonyms
3-Phenyl-L-alanine HCl / L-Phenylalanine HCl / L-Phenylalanine hydrochloride
UNII
L6O14A5L6Q
CAS Number
17585-69-2
Weight
Average: 201.65
Monoisotopic: 201.0556563
Chemical Formula
C9H12ClNO2
InChI Key
ZAIZDXVMSSDZFA-QRPNPIFTSA-N
InChI
InChI=1S/C9H11NO2.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H/t8-;/m0./s1
IUPAC Name
(2S)-2-amino-3-phenylpropanoic acid hydrochloride
SMILES
Cl.N[C@@H](CC1=CC=CC=C1)C(O)=O
ChemSpider
10172617
Predicted Properties
PropertyValueSource
Water Solubility4.14 mg/mLALOGPS
logP-1.4ALOGPS
logP-1.2ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)2.47ChemAxon
pKa (Strongest Basic)9.45ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity45.12 m3·mol-1ChemAxon
Polarizability17.13 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon