2-[methyl(propan-2-yl)amino]acetic acid

• ChemBase ID: 308126
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: N(CC(=O)O)(C(C)C)C
• Canonical SMILES: CC(N(CC(=O)O)C)C
• InChI: InChI=1S/C6H13NO2/c1-5(2)7(3)4-6(8)9/h5H,4H2,1-3H3,(H,8,9)
• InChIKey: RMLIHPQMHVOHNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[methyl(propan-2-yl)amino]acetic acid
• IUPAC Traditional name: [isopropyl(methyl)amino]acetic acid
• Synonyms: N-isopropyl-N-methylglycine

Database IDs

• CAS Number: 108957-96-6
• MDL Number: MFCD09864552

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2886095
• LogD (pH = 7.4): -2.289001
• Log P: -2.2885337
• Molar Refractivity: 35.2401 cm^3
• Polarizability: 13.835553 Å^3
• Polar Surface Area: 40.54 Å^2