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

• ChemBase ID: 124847
• Molecular Formular: C11H15NO3
• Molecular Mass: 209.2417
• Monoisotopic Mass: 209.10519335
• SMILES: C(=O)(CCNc1cc(OC)ccc1)OC
• Canonical SMILES: COC(=O)CCNc1cccc(c1)OC
• InChI: InChI=1S/C11H15NO3/c1-14-10-5-3-4-9(8-10)12-7-6-11(13)15-2/h3-5,8,12H,6-7H2,1-2H3
• InChIKey: XUJHYAAFPKZFBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162219200
• PubChem CID: 13355962

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1239003
• LogD (pH = 7.4): 1.1489143
• Log P: 1.1492428
• Molar Refractivity: 58.2681 cm^3
• Polarizability: 22.126703 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true