(2S)-2-amino-4-(hydrazinecarbonyl)butanoic acid

• ChemBase ID: 102456
• Molecular Formular: C5H11N3O3
• Molecular Mass: 161.15914
• Monoisotopic Mass: 161.08004123
• SMILES: NNC(=O)CC[C@H](N)C(=O)O
• Canonical SMILES: NNC(=O)CC[C@@H](C(=O)O)N
• InChI: InChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)/t3-/m0/s1
• InChIKey: MOFBPUBBBREDCE-VKHMYHEASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-4-(hydrazinecarbonyl)butanoic acid
• IUPAC Traditional name: (2S)-2-amino-4-(hydrazinecarbonyl)butanoic acid
• Synonyms: L-Glutamic acid-β-hydrazide; γ-L-GLUTAMYL HYDRAZIDE; L-Glutamic acid γ-hydrazide

Database IDs

• CAS Number: 1820-73-1
• EC Number: 217-337-6
• MDL Number: MFCD00047824
• PubChem SID: 24895147; 162088470
• PubChem CID: 92165

CALCULATED PROPERTIES

• Acid pKa: 1.630411
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -4.3060904
• LogD (pH = 7.4): -4.3024483
• Log P: -4.2996116
• Molar Refractivity: 37.594 cm^3
• Polarizability: 14.75165 Å^3
• Polar Surface Area: 118.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Storage Temperature: -20°C

DETAILS

MP Biomedicals - 02101764

Glutamine Antagonist