cyclopentyl 2-(3-aminophenyl)acetate

• ChemBase ID: 123680
• Molecular Formular: C13H17NO2
• Molecular Mass: 219.27958
• Monoisotopic Mass: 219.12592879
• SMILES: C(=O)(OC1CCCC1)Cc1cc(N)ccc1
• Canonical SMILES: O=C(Cc1cccc(c1)N)OC1CCCC1
• InChI: InChI=1S/C13H17NO2/c14-11-5-3-4-10(8-11)9-13(15)16-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9,14H2
• InChIKey: CLTMECOPJWZBFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl 2-(3-aminophenyl)acetate
• IUPAC Traditional name: cyclopentyl 2-(3-aminophenyl)acetate
• Synonyms: cyclopentyl 2-(3-aminophenyl)acetate

Database IDs

• PubChem SID: 162218033
• PubChem CID: 28689654

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2586462
• LogD (pH = 7.4): 2.2823532
• Log P: 2.282664
• Molar Refractivity: 63.2483 cm^3
• Polarizability: 24.390985 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true