2-(dimethylamino)propanoic acid

• ChemBase ID: 308240
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: C(=O)(C(N(C)C)C)O
• Canonical SMILES: CC(C(=O)O)N(C)C
• InChI: InChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)
• InChIKey: QCYOIFVBYZNUNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)propanoic acid
• IUPAC Traditional name: N,N-dimethyl-L-alanine
• Synonyms: N,N-dimethylalanine

Database IDs

• CAS Number: 19701-89-4
• MDL Number: MFCD09864585

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4928477
• LogD (pH = 7.4): -2.4937205
• Log P: -2.4928033
• Molar Refractivity: 30.5666 cm^3
• Polarizability: 12.004493 Å^3
• Polar Surface Area: 40.54 Å^2