2-[(4-methoxyphenyl)carbamoyl]acetic acid

• ChemBase ID: 307867
• Molecular Formular: C10H11NO4
• Molecular Mass: 209.19864
• Monoisotopic Mass: 209.06880784
• SMILES: C(=O)(CC(=O)O)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC(=O)CC(=O)O
• InChI: InChI=1S/C10H11NO4/c1-15-8-4-2-7(3-5-8)11-9(12)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
• InChIKey: RCVPARJLXXAYQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methoxyphenyl)carbamoyl]acetic acid
• IUPAC Traditional name: 2-[(4-methoxyphenyl)carbamoyl]acetic acid
• Synonyms: 3-[(4-methoxyphenyl)amino]-3-oxopropanoic acid

Database IDs

• CAS Number: 61916-60-7
• MDL Number: MFCD00201915

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0015577
• LogD (pH = 7.4): -2.4155045
• Log P: 0.94551337
• Molar Refractivity: 53.7283 cm^3
• Polarizability: 20.151674 Å^3
• Polar Surface Area: 75.63 Å^2