methyl 2-(N-benzylformamido)acetate

• ChemBase ID: 289721
• Molecular Formular: C11H13NO3
• Molecular Mass: 207.22582
• Monoisotopic Mass: 207.08954328
• SMILES: O=C(OC)CN(Cc1ccccc1)C=O
• Canonical SMILES: COC(=O)CN(Cc1ccccc1)C=O
• InChI: InChI=1S/C11H13NO3/c1-15-11(14)8-12(9-13)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
• InChIKey: NQQYVKYSUKKXOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(N-benzylformamido)acetate
• IUPAC Traditional name: methyl 2-(N-benzylformamido)acetate
• Synonyms: Methyl 2-(N-benzylformamido)acetate

Database IDs

• CAS Number: 123017-47-0
• PubChem SID: 180675252
• PubChem CID: 11095800

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7167156
• LogD (pH = 7.4): 0.7167156
• Log P: 0.7167156
• Molar Refractivity: 55.2351 cm^3
• Polarizability: 21.520552 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%