(2S)-2-amino-4-[(4-nitrophenyl)carbamoyl]butanoic acid hydrochloride

• ChemBase ID: 103360
• Molecular Formular: C11H14ClN3O5
• Molecular Mass: 303.69896
• Monoisotopic Mass: 303.06219824
• SMILES: Cl.N[C@@H](CCC(=O)Nc1ccc(cc1)[N+](=O)[O-])C(=O)O
• Canonical SMILES: O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N.Cl
• InChI: InChI=1S/C11H13N3O5.ClH/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19;/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17);1H/t9-;/m0./s1
• InChIKey: OJEVFSFTVARWQX-FVGYRXGTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-4-[(4-nitrophenyl)carbamoyl]butanoic acid hydrochloride
• IUPAC Traditional name: (2S)-2-amino-4-[(4-nitrophenyl)carbamoyl]butanoic acid hydrochloride
• Synonyms: N-(4-Nitrophenyl)-L-glutamine monohydrochloride; L-2-Amino-4'-nitroglutaranilic acid hydrochloride; L-Glutamic acid β-(p-nitroanilide) hydrochloride; γ-L-GLUTAMYL-p-NITROANILIDE

Database IDs

• CAS Number: 67953-08-6
• EC Number: 267-944-5
• PubChem SID: 162090873
• PubChem CID: 9839424

CALCULATED PROPERTIES

• Acid pKa: 1.526357
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -1.820141
• LogD (pH = 7.4): -1.825038
• Log P: -1.8201804
• Molar Refractivity: 66.8897 cm^3
• Polarizability: 24.783045 Å^3
• Polar Surface Area: 138.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C

DETAILS

MP Biomedicals - 02151495

Hydrochloride
Crystalline
A water soluble form of GPNA (100663) suitable for use as substrate for γ-glutamyl transpeptidase.