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

• ChemBase ID: 307868
• Molecular Formular: C11H13NO4
• Molecular Mass: 223.22522
• Monoisotopic Mass: 223.0844579
• SMILES: C(=O)(CC(=O)O)Nc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)NC(=O)CC(=O)O
• InChI: InChI=1S/C11H13NO4/c1-2-16-9-5-3-8(4-6-9)12-10(13)7-11(14)15/h3-6H,2,7H2,1H3,(H,12,13)(H,14,15)
• InChIKey: CLYZAEDHBXTZBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 4270-38-6
• MDL Number: MFCD08685834

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.6465671
• LogD (pH = 7.4): -2.0593023
• Log P: 1.3023213
• Molar Refractivity: 58.4769 cm^3
• Polarizability: 21.978025 Å^3
• Polar Surface Area: 75.63 Å^2