methyl 1-cyclopentylpyrrolidine-2-carboxylate

• ChemBase ID: 241603
• Molecular Formular: C11H19NO2
• Molecular Mass: 197.27406
• Monoisotopic Mass: 197.14157885
• SMILES: N1(C(C(=O)OC)CCC1)C1CCCC1
• Canonical SMILES: COC(=O)C1CCCN1C1CCCC1
• InChI: InChI=1S/C11H19NO2/c1-14-11(13)10-7-4-8-12(10)9-5-2-3-6-9/h9-10H,2-8H2,1H3
• InChIKey: KQAXCXNWYARQJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-cyclopentylpyrrolidine-2-carboxylate
• IUPAC Traditional name: methyl 1-cyclopentylpyrrolidine-2-carboxylate
• Synonyms: methyl 1-cyclopentylpyrrolidine-2-carboxylate

Database IDs

• MDL Number: MFCD16160202
• PubChem SID: 164297513
• PubChem CID: 62028230

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.9347375
• LogD (pH = 7.4): 0.8368037
• Log P: 1.7865025
• Molar Refractivity: 54.5413 cm^3
• Polarizability: 21.825024 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.115

Product Information

• Purity: 95%