methyl 3-(pyrrolidin-3-yl)propanoate hydrochloride

• ChemBase ID: 799753
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: Cl.C(=O)(CCC1CNCC1)OC
• Canonical SMILES: COC(=O)CCC1CNCC1.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c1-11-8(10)3-2-7-4-5-9-6-7;/h7,9H,2-6H2,1H3;1H
• InChIKey: FUSNRWBEGDWOIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-(pyrrolidin-3-yl)propanoate hydrochloride
• IUPAC Traditional name: methyl 3-(pyrrolidin-3-yl)propanoate hydrochloride
• Synonyms: methyl 3-(pyrrolidin-3-yl)propanoate hydrochloride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9484508
• LogD (pH = 7.4): -2.883842
• Log P: 0.29268146
• Molar Refractivity: 42.3425 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%