methyl 2-(cyclopentylamino)-2-(3-methylphenyl)acetate

• ChemBase ID: 599466
• Molecular Formular: C15H21NO2
• Molecular Mass: 247.33274
• Monoisotopic Mass: 247.15722892
• SMILES: C(C(=O)OC)(c1cc(ccc1)C)NC1CCCC1
• Canonical SMILES: COC(=O)C(c1cccc(c1)C)NC1CCCC1
• InChI: InChI=1S/C15H21NO2/c1-11-6-5-7-12(10-11)14(15(17)18-2)16-13-8-3-4-9-13/h5-7,10,13-14,16H,3-4,8-9H2,1-2H3
• InChIKey: HDLHAHKHBWLHJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(cyclopentylamino)-2-(3-methylphenyl)acetate
• IUPAC Traditional name: methyl 2-(cyclopentylamino)-2-(3-methylphenyl)acetate
• Synonyms: methyl (cyclopentylamino)(3-methylphenyl)acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3740451
• LogD (pH = 7.4): 3.2024457
• Log P: 3.2355516
• Molar Refractivity: 71.3594 cm^3
• Polarizability: 28.385122 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.27
• LOG S: -2.79
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5