2-[methyl(phenyl)amino]acetic acid

• ChemBase ID: 308001
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: N(CC(=O)O)(c1ccccc1)C
• Canonical SMILES: CN(c1ccccc1)CC(=O)O
• InChI: InChI=1S/C9H11NO2/c1-10(7-9(11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)
• InChIKey: DVYVBENBIMEAJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[methyl(phenyl)amino]acetic acid
• IUPAC Traditional name: [methyl(phenyl)amino]acetic acid
• Synonyms: N-methyl-N-phenylglycine

Database IDs

• CAS Number: 40643-55-8
• MDL Number: MFCD06849815

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5900311
• LogD (pH = 7.4): -1.1848165
• Log P: 1.559273
• Molar Refractivity: 46.5712 cm^3
• Polarizability: 17.506872 Å^3
• Polar Surface Area: 40.54 Å^2