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

• ChemBase ID: 306653
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: C(=O)(O)CNCc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1CNCC(=O)O
• InChI: InChI=1S/C10H13NO3/c1-14-9-5-3-2-4-8(9)6-11-7-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
• InChIKey: GZWRFKISPFGGPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 124589-79-3
• MDL Number: MFCD08060562

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6186
• LogD (pH = 7.4): -1.6255085
• Log P: -1.618662
• Molar Refractivity: 51.8538 cm^3
• Polarizability: 20.415335 Å^3
• Polar Surface Area: 58.56 Å^2