2-amino-3-methylpentanamide

• ChemBase ID: 255814
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(C(N)C(CC)C)N
• Canonical SMILES: CCC(C(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)
• InChIKey: JDAMFKGXSUOWBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-methylpentanamide
• IUPAC Traditional name: 2-amino-3-methylpentanamide
• Synonyms: 2-amino-3-methylpentanamide

Database IDs

• MDL Number: MFCD05270894
• PubChem SID: 164311724
• PubChem CID: 3866017

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

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): -0.105

Product Information

• Purity: 95%