3-(dimethylamino)butanoic acid

• ChemBase ID: 308125
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C(C(=O)O)C(N(C)C)C
• Canonical SMILES: CC(N(C)C)CC(=O)O
• InChI: InChI=1S/C6H13NO2/c1-5(7(2)3)4-6(8)9/h5H,4H2,1-3H3,(H,8,9)
• InChIKey: SURVRMRLLSFWHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethylamino)butanoic acid
• IUPAC Traditional name: 3-(dimethylamino)butanoic acid
• Synonyms: 3-(dimethylamino)butanoic acid

Database IDs

• CAS Number: 758665-04-2
• MDL Number: MFCD09971267

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4182575
• LogD (pH = 7.4): -2.4087539
• Log P: -2.4079008
• Molar Refractivity: 35.1909 cm^3
• Polarizability: 13.835553 Å^3
• Polar Surface Area: 40.54 Å^2