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

• ChemBase ID: 132872
• Molecular Formular: C11H14ClN3O5
• Molecular Mass: 303.69896
• Monoisotopic Mass: 303.06219824
• SMILES: c1cc(ccc1NC(=O)CCC(C(=O)O)N)[N+](=O)[O-].Cl
• Canonical SMILES: O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(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
• InChIKey: OJEVFSFTVARWQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-[(4-nitrophenyl)carbamoyl]butanoic acid hydrochloride
• IUPAC Traditional name: 2-amino-4-[(4-nitrophenyl)carbamoyl]butanoic acid hydrochloride
• Synonyms: L-γ-Glutamyl-p-nitroanilide; L-Glutamic acid γ-(p-nitroanilide) hydrochloride

Database IDs

• CAS Number: 67953-08-6
• EC Number: 267-944-5
• MDL Number: MFCD00039054
• PubChem SID: 24895247; 162227149
• PubChem CID: 16219428

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

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Quality Level: PREMIUM

DETAILS

Sigma Aldrich - G6133

Substrates
Substrate for γ-glutamyl transpeptidase