methyl 3-[(4-methoxyphenyl)amino]propanoate

• ChemBase ID: 124848
• Molecular Formular: C11H15NO3
• Molecular Mass: 209.2417
• Monoisotopic Mass: 209.10519335
• SMILES: C(=O)(CCNc1ccc(cc1)OC)OC
• Canonical SMILES: COC(=O)CCNc1ccc(cc1)OC
• InChI: InChI=1S/C11H15NO3/c1-14-10-5-3-9(4-6-10)12-8-7-11(13)15-2/h3-6,12H,7-8H2,1-2H3
• InChIKey: RHVWXNYKTFBAPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-[(4-methoxyphenyl)amino]propanoate
• IUPAC Traditional name: methyl 3-[(4-methoxyphenyl)amino]propanoate
• Synonyms: methyl 3-((4-methoxyphenyl)amino)propanoate

Database IDs

• PubChem SID: 162219201
• PubChem CID: 2987804

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.70067465
• LogD (pH = 7.4): 1.1394142
• Log P: 1.1492428
• Molar Refractivity: 58.2681 cm^3
• Polarizability: 22.125547 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true