2-amino-N-(2-methylpropyl)acetamide

• ChemBase ID: 123739
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(NCC(C)C)CN
• Canonical SMILES: NCC(=O)NCC(C)C
• InChI: InChI=1S/C6H14N2O/c1-5(2)4-8-6(9)3-7/h5H,3-4,7H2,1-2H3,(H,8,9)
• InChIKey: RRSSLJCGIBNHIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2-methylpropyl)acetamide
• IUPAC Traditional name: 2-amino-N-(2-methylpropyl)acetamide
• Synonyms: 2-amino-N-isobutylacetamide

Database IDs

• PubChem SID: 162218092
• PubChem CID: 19602523

CALCULATED PROPERTIES

• Acid pKa: 16.171251
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9794855
• LogD (pH = 7.4): -1.2963235
• Log P: -0.48643893
• Molar Refractivity: 36.4665 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true