(2S)-2-aminopentanedioic acid hydrochloride

• ChemBase ID: 797283
• Molecular Formular: C5H10ClNO4
• Molecular Mass: 183.5902
• Monoisotopic Mass: 183.02983549
• SMILES: Cl.C(=O)([C@H](CCC(=O)O)N)O
• Canonical SMILES: OC(=O)CC[C@@H](C(=O)O)N.Cl
• InChI: InChI=1S/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1
• InChIKey: RPAJSBKBKSSMLJ-DFWYDOINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-aminopentanedioic acid hydrochloride
• IUPAC Traditional name: L-glutamic acid hydrochloride
• Synonyms: (S)-2-AMinopentanedioic acid hydrochloride; L-(+)-Glutamic acid hydrochloride

Database IDs

• CAS Number: 138-15-8

CALCULATED PROPERTIES

• Acid pKa: 1.8777773
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -4.4458017
• LogD (pH = 7.4): -6.180975
• Log P: -3.241447
• Molar Refractivity: 31.2877 cm^3
• Polarizability: 12.69048 Å^3
• Polar Surface Area: 100.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%