ethyl pyrrolidine-2-carboxylate

• ChemBase ID: 258378
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C(=O)(C1NCCC1)OCC
• Canonical SMILES: CCOC(=O)C1CCCN1
• InChI: InChI=1S/C7H13NO2/c1-2-10-7(9)6-4-3-5-8-6/h6,8H,2-5H2,1H3
• InChIKey: QPNJHVDIRZNKOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl pyrrolidine-2-carboxylate
• IUPAC Traditional name: ethyl pyrrolidine-2-carboxylate
• Synonyms: ethyl pyrrolidine-2-carboxylate

Database IDs

• MDL Number: MFCD00126468
• PubChem SID: 164314288
• PubChem CID: 550673

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5311197
• LogD (pH = 7.4): 0.07714473
• Log P: 0.4055606
• Molar Refractivity: 37.582 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.794

Product Information

• Purity: 95%