methyl 2-amino-3-[4-(pyridin-3-yloxy)phenyl]propanoate

• ChemBase ID: 811460
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: C(=O)(C(Cc1ccc(cc1)Oc1cnccc1)N)OC
• Canonical SMILES: COC(=O)C(Cc1ccc(cc1)Oc1cccnc1)N
• InChI: InChI=1S/C15H16N2O3/c1-19-15(18)14(16)9-11-4-6-12(7-5-11)20-13-3-2-8-17-10-13/h2-8,10,14H,9,16H2,1H3
• InChIKey: KCDFQZJZENUBND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-3-[4-(pyridin-3-yloxy)phenyl]propanoate
• IUPAC Traditional name: methyl 2-amino-3-[4-(pyridin-3-yloxy)phenyl]propanoate
• Synonyms: METHYL 2-AMINO-3-(4-(PYRIDIN-3-YLOXY)PHENYL)PROPANOATE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.021611366
• LogD (pH = 7.4): 1.3661723
• Log P: 1.5061239
• Molar Refractivity: 73.9693 cm^3
• Polarizability: 29.412397 Å^3
• Polar Surface Area: 74.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%