2-{methyl[(4-methylphenyl)methyl]amino}acetic acid

• ChemBase ID: 308777
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: C(=O)(CN(Cc1ccc(cc1)C)C)O
• Canonical SMILES: CN(Cc1ccc(cc1)C)CC(=O)O
• InChI: InChI=1S/C11H15NO2/c1-9-3-5-10(6-4-9)7-12(2)8-11(13)14/h3-6H,7-8H2,1-2H3,(H,13,14)
• InChIKey: HFUDWFJICPXCJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{methyl[(4-methylphenyl)methyl]amino}acetic acid
• IUPAC Traditional name: {methyl[(4-methylphenyl)methyl]amino}acetic acid
• Synonyms: N-methyl-N-(4-methylbenzyl)glycine

Database IDs

• CAS Number: 1041538-08-2
• MDL Number: MFCD11054016

CALCULATED PROPERTIES

• Log P: -0.8218232
• Molar Refractivity: 55.7265 cm^3
• Polarizability: 21.490046 Å^3
• Polar Surface Area: 40.54 Å^2
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8218105
• LogD (pH = 7.4): -0.8245603