5-amino-N-cyclopropyl-2-methoxybenzamide

• ChemBase ID: 120865
• Molecular Formular: C11H14N2O2
• Molecular Mass: 206.24106
• Monoisotopic Mass: 206.1055277
• SMILES: c1(C(=O)NC2CC2)c(ccc(c1)N)OC
• Canonical SMILES: COc1ccc(cc1C(=O)NC1CC1)N
• InChI: InChI=1S/C11H14N2O2/c1-15-10-5-2-7(12)6-9(10)11(14)13-8-3-4-8/h2,5-6,8H,3-4,12H2,1H3,(H,13,14)
• InChIKey: IGQRHLQLXVUFRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-N-cyclopropyl-2-methoxybenzamide
• IUPAC Traditional name: 5-amino-N-cyclopropyl-2-methoxybenzamide
• Synonyms: 5-amino-N-cyclopropyl-2-methoxybenzamide

Database IDs

• PubChem SID: 162215218
• PubChem CID: 28690120

CALCULATED PROPERTIES

• Acid pKa: 14.358183
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.51159006
• LogD (pH = 7.4): 0.5263381
• Log P: 0.5265295
• Molar Refractivity: 58.4079 cm^3
• Polarizability: 21.626093 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true