methyl 2-(2-carbamoylphenoxy)acetate

• ChemBase ID: 121387
• Molecular Formular: C10H11NO4
• Molecular Mass: 209.19864
• Monoisotopic Mass: 209.06880784
• SMILES: c1(C(=O)N)c(OCC(=O)OC)cccc1
• Canonical SMILES: COC(=O)COc1ccccc1C(=O)N
• InChI: InChI=1S/C10H11NO4/c1-14-9(12)6-15-8-5-3-2-4-7(8)10(11)13/h2-5H,6H2,1H3,(H2,11,13)
• InChIKey: TUIIPYHNEPTKMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(2-carbamoylphenoxy)acetate
• IUPAC Traditional name: methyl 2-(2-carbamoylphenoxy)acetate
• Synonyms: methyl 2-(2-carbamoylphenoxy)acetate

Database IDs

• PubChem SID: 162215740
• PubChem CID: 2772027

CALCULATED PROPERTIES

• Acid pKa: 13.65747
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.29009217
• LogD (pH = 7.4): 0.2900924
• Log P: 0.2900922
• Molar Refractivity: 52.4533 cm^3
• Polarizability: 20.199127 Å^3
• Polar Surface Area: 78.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true