ethyl pyrrolidine-2-carboxylate hydrochloride

• ChemBase ID: 246984
• Molecular Formular: C7H14ClNO2
• Molecular Mass: 179.64456
• Monoisotopic Mass: 179.07130637
• SMILES: C(=O)(C1NCCC1)OCC.Cl
• Canonical SMILES: CCOC(=O)C1CCCN1.Cl
• InChI: InChI=1S/C7H13NO2.ClH/c1-2-10-7(9)6-4-3-5-8-6;/h6,8H,2-5H2,1H3;1H
• InChIKey: DUJGQVVONTYHLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164302894
• PubChem CID: 12203801

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%