3-[ethyl(methyl)amino]-2-methylpropanoic acid

• ChemBase ID: 308072
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C(C(=O)O)(CN(CC)C)C
• Canonical SMILES: CCN(CC(C(=O)O)C)C
• InChI: InChI=1S/C7H15NO2/c1-4-8(3)5-6(2)7(9)10/h6H,4-5H2,1-3H3,(H,9,10)
• InChIKey: OOHPGPJGSYBRKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[ethyl(methyl)amino]-2-methylpropanoic acid
• IUPAC Traditional name: 3-[ethyl(methyl)amino]-2-methylpropanoic acid
• Synonyms: 3-[ethyl(methyl)amino]-2-methylpropanoic acid

Database IDs

• CAS Number: 857577-20-9
• MDL Number: MFCD09971256

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9365957
• LogD (pH = 7.4): -1.9257172
• Log P: -1.9253504
• Molar Refractivity: 40.0952 cm^3
• Polarizability: 15.66981 Å^3
• Polar Surface Area: 40.54 Å^2