2-amino-N-methylbutanamide

• ChemBase ID: 308779
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: C(=O)(NC)C(N)CC
• Canonical SMILES: CCC(C(=O)NC)N
• InChI: InChI=1S/C5H12N2O/c1-3-4(6)5(8)7-2/h4H,3,6H2,1-2H3,(H,7,8)
• InChIKey: ZHOQLXVRCKUUQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methylbutanamide
• IUPAC Traditional name: 2-amino-N-methylbutanamide
• Synonyms: 2-amino-N-methylbutanamide

Database IDs

• CAS Number: 767570-56-9
• MDL Number: MFCD12104506

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3276274
• LogD (pH = 7.4): -1.720617
• Log P: -0.6394555
• Molar Refractivity: 31.7402 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 55.12 Å^2