2-[(3-methoxyphenyl)amino]butanoic acid

• ChemBase ID: 307872
• Molecular Formular: C11H15NO3
• Molecular Mass: 209.2417
• Monoisotopic Mass: 209.10519335
• SMILES: C(=O)(C(Nc1cc(OC)ccc1)CC)O
• Canonical SMILES: CCC(C(=O)O)Nc1cccc(c1)OC
• InChI: InChI=1S/C11H15NO3/c1-3-10(11(13)14)12-8-5-4-6-9(7-8)15-2/h4-7,10,12H,3H2,1-2H3,(H,13,14)
• InChIKey: NSMXPZXYOOPULG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-methoxyphenyl)amino]butanoic acid
• IUPAC Traditional name: 2-[(3-methoxyphenyl)amino]butanoic acid
• Synonyms: 2-[(3-methoxyphenyl)amino]butanoic acid

Database IDs

• MDL Number: MFCD09864411

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.44832644
• LogD (pH = 7.4): -1.1601553
• Log P: 1.1357102
• Molar Refractivity: 57.8175 cm^3
• Polarizability: 21.87796 Å^3
• Polar Surface Area: 58.56 Å^2