3-(dimethylamino)-2-methylpropanoic acid

• ChemBase ID: 308226
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C(C(=O)O)(CN(C)C)C
• Canonical SMILES: CC(C(=O)O)CN(C)C
• InChI: InChI=1S/C6H13NO2/c1-5(6(8)9)4-7(2)3/h5H,4H2,1-3H3,(H,8,9)
• InChIKey: JZRKIWQSOIPFET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethylamino)-2-methylpropanoic acid
• IUPAC Traditional name: 3-(dimethylamino)-2-methylpropanoic acid
• Synonyms: 3-(dimethylamino)-2-methylpropanoic acid

Database IDs

• CAS Number: 2523-01-5
• MDL Number: MFCD09864581

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.291066
• LogD (pH = 7.4): -2.2825193
• Log P: -2.2815855
• Molar Refractivity: 35.3466 cm^3
• Polarizability: 13.835553 Å^3
• Polar Surface Area: 40.54 Å^2