ethyl 2-(pyrrolidin-2-yl)acetate hydrochloride

• ChemBase ID: 269713
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: C(C(=O)OCC)C1NCCC1.Cl
• Canonical SMILES: CCOC(=O)CC1CCCN1.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)6-7-4-3-5-9-7;/h7,9H,2-6H2,1H3;1H
• InChIKey: MNOIOSZMNYCGJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(pyrrolidin-2-yl)acetate hydrochloride
• IUPAC Traditional name: ethyl 2-(pyrrolidin-2-yl)acetate hydrochloride
• Synonyms: ethyl 2-(pyrrolidin-2-yl)acetate hydrochloride

Database IDs

• MDL Number: MFCD16990680
• PubChem SID: 164325623
• PubChem CID: 50988249

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7388616
• LogD (pH = 7.4): -2.224234
• Log P: 0.49038413
• Molar Refractivity: 42.2063 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.124

Product Information

• Purity: 95%