(2S,3S)-2-amino-3-methylpentanamide

• ChemBase ID: 277526
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)([C@@H](N)[C@H](CC)C)N
• Canonical SMILES: CC[C@@H]([C@@H](C(=O)N)N)C
• InChI: InChI=1S/C6H14N2O/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t4-,5-/m0/s1
• InChIKey: JDAMFKGXSUOWBV-WHFBIAKZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3S)-2-amino-3-methylpentanamide
• IUPAC Traditional name: (2S,3S)-2-amino-3-methylpentanamide
• Synonyms: (2S,3S)-2-amino-3-methylpentanamide

Database IDs

• MDL Number: MFCD13176339
• PubChem SID: 164333436
• PubChem CID: 854028

CALCULATED PROPERTIES

• Acid pKa: 16.687603
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.776255
• LogD (pH = 7.4): -1.1942484
• Log P: -0.05359004
• Molar Refractivity: 35.9161 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.105

Product Information

• Purity: 95%