3-(methylamino)butanamide

• ChemBase ID: 309706
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: C(=O)(CC(NC)C)N
• Canonical SMILES: CC(NC)CC(=O)N
• InChI: InChI=1S/C5H12N2O/c1-4(7-2)3-5(6)8/h4,7H,3H2,1-2H3,(H2,6,8)
• InChIKey: ZCCUVFCTQSVYRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methylamino)butanamide
• IUPAC Traditional name: 3-(methylamino)butanamide
• Synonyms: 3-(methylamino)butanamide

Database IDs

• MDL Number: MFCD16300691

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.0666995
• LogD (pH = 7.4): -3.139771
• Log P: -0.86825
• Molar Refractivity: 31.7184 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 55.12 Å^2