2-(2-methoxyacetamido)benzoic acid

• ChemBase ID: 312053
• Molecular Formular: C10H11NO4
• Molecular Mass: 209.19864
• Monoisotopic Mass: 209.06880784
• SMILES: c1(c(NC(=O)COC)cccc1)C(=O)O
• Canonical SMILES: COCC(=O)Nc1ccccc1C(=O)O
• InChI: InChI=1S/C10H11NO4/c1-15-6-9(12)11-8-5-3-2-4-7(8)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
• InChIKey: GHVIQOUJOOXOIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyacetamido)benzoic acid
• IUPAC Traditional name: 2-(2-methoxyacetamido)benzoic acid
• Synonyms: 2-[(methoxyacetyl)amino]benzoic acid

Database IDs

• CAS Number: 215102-53-7
• MDL Number: MFCD03784903

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): -0.5940105
• LogD (pH = 7.4): -2.013697
• Log P: 1.3444176
• Molar Refractivity: 54.6306 cm^3
• Polarizability: 20.141466 Å^3
• Polar Surface Area: 75.63 Å^2
• H Acceptors: 4