propan-2-yl 3-amino-4-methoxybenzoate

• ChemBase ID: 124274
• Molecular Formular: C11H15NO3
• Molecular Mass: 209.2417
• Monoisotopic Mass: 209.10519335
• SMILES: C(=O)(c1cc(c(cc1)OC)N)OC(C)C
• Canonical SMILES: COc1ccc(cc1N)C(=O)OC(C)C
• InChI: InChI=1S/C11H15NO3/c1-7(2)15-11(13)8-4-5-10(14-3)9(12)6-8/h4-7H,12H2,1-3H3
• InChIKey: WZSCVHIURPJPFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl 3-amino-4-methoxybenzoate
• IUPAC Traditional name: isopropyl 3-amino-4-methoxybenzoate
• Synonyms: isopropyl 3-amino-4-methoxybenzoate

Database IDs

• PubChem SID: 162218627
• PubChem CID: 28690040

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7623456
• LogD (pH = 7.4): 1.7634939
• Log P: 1.7635086
• Molar Refractivity: 58.4143 cm^3
• Polarizability: 22.098774 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds