methyl 2-[(3-methoxyphenyl)amino]acetate

• ChemBase ID: 124237
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: C(=O)(CNc1cc(OC)ccc1)OC
• Canonical SMILES: COC(=O)CNc1cccc(c1)OC
• InChI: InChI=1S/C10H13NO3/c1-13-9-5-3-4-8(6-9)11-7-10(12)14-2/h3-6,11H,7H2,1-2H3
• InChIKey: KCMZCXBDVCGYMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(3-methoxyphenyl)amino]acetate
• IUPAC Traditional name: methyl 2-[(3-methoxyphenyl)amino]acetate
• Synonyms: methyl 2-((3-methoxyphenyl)amino)acetate

Database IDs

• PubChem SID: 162218590
• PubChem CID: 22669248

CALCULATED PROPERTIES

• Acid pKa: 15.666904
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.91217875
• LogD (pH = 7.4): 0.9122294
• Log P: 0.91223
• Molar Refractivity: 53.5687 cm^3
• Polarizability: 20.29043 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true