methyl 2-[(4-methoxyphenyl)amino]acetate

• ChemBase ID: 124242
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: C(=O)(CNc1ccc(cc1)OC)OC
• Canonical SMILES: COC(=O)CNc1ccc(cc1)OC
• InChI: InChI=1S/C10H13NO3/c1-13-9-5-3-8(4-6-9)11-7-10(12)14-2/h3-6,11H,7H2,1-2H3
• InChIKey: VRAKZEPUJJPIIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(4-methoxyphenyl)amino]acetate
• IUPAC Traditional name: methyl 2-[(4-methoxyphenyl)amino]acetate
• Synonyms: methyl 2-((4-methoxyphenyl)amino)acetate

Database IDs

• PubChem SID: 162218595
• PubChem CID: 22669309

CALCULATED PROPERTIES

• Acid pKa: 17.698744
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.91067386
• LogD (pH = 7.4): 0.9122104
• Log P: 0.91223
• Molar Refractivity: 53.5687 cm^3
• Polarizability: 20.289291 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true