(2S)-2-amino-N-hydroxy-4-methylpentanamide

• ChemBase ID: 2998
• Molecular Formular: C6H14N2O2
• Molecular Mass: 146.18756
• Monoisotopic Mass: 146.1055277
• SMILES: CC(C)C[C@H](N)C(=O)NO
• Canonical SMILES: ONC(=O)[C@H](CC(C)C)N
• InChI: InChI=1S/C6H14N2O2/c1-4(2)3-5(7)6(9)8-10/h4-5,10H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
• InChIKey: UJJHPFLWSVFLBE-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-N-hydroxy-4-methylpentanamide
• IUPAC Traditional name: @L-leucyl-hydroxylamine
• Synonyms: L-Leucyl-Hydroxylamine

Database IDs

• PubChem SID: 46504564; 160966445
• PubChem CID: 3080766

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.9035635
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.5603857
• LogD (pH = 7.4): -0.9038879
• Log P: -0.5681673
• Molar Refractivity: 37.7577 cm^3
• Polarizability: 15.164111 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -0.42
• LOG S: -0.4
• Solubility (Water): 5.86e+01 g/l

DETAILS

DrugBank - DB03308

Drug information: experimental