methyl 2-[(ethoxymethylidene)amino]benzoate

• ChemBase ID: 81227
• Molecular Formular: C11H13NO3
• Molecular Mass: 207.22582
• Monoisotopic Mass: 207.08954328
• SMILES: N(=C\OCC)/c1c(cccc1)C(=O)OC
• Canonical SMILES: CCO/C=N/c1ccccc1C(=O)OC
• InChI: InChI=1S/C11H13NO3/c1-3-15-8-12-10-7-5-4-6-9(10)11(13)14-2/h4-8H,3H2,1-2H3
• InChIKey: GWBUWKDRTPJROK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(ethoxymethylidene)amino]benzoate
• IUPAC Traditional name: methyl 2-[(ethoxymethylidene)amino]benzoate
• Synonyms: methyl 2-[(ethoxymethylene)amino]benzoate

Database IDs

• MDL Number: MFCD01569970
• PubChem SID: 162068346
• PubChem CID: 2777087

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3628256
• LogD (pH = 7.4): 2.3628263
• Log P: 2.3628263
• Molar Refractivity: 58.7107 cm^3
• Polarizability: 21.681156 Å^3
• Polar Surface Area: 47.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true