pyrrolidin-3-yl cyclopentanecarboxylate hydrochloride

• ChemBase ID: 45862
• Molecular Formular: C10H18ClNO2
• Molecular Mass: 219.70842
• Monoisotopic Mass: 219.1026065
• SMILES: C(=O)(OC1CCNC1)C1CCCC1.Cl
• Canonical SMILES: O=C(C1CCCC1)OC1CCNC1.Cl
• InChI: InChI=1S/C10H17NO2.ClH/c12-10(8-3-1-2-4-8)13-9-5-6-11-7-9;/h8-9,11H,1-7H2;1H
• InChIKey: QPWKTKRNGKYYFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrrolidin-3-yl cyclopentanecarboxylate hydrochloride
• IUPAC Traditional name: pyrrolidin-3-yl cyclopentanecarboxylate hydrochloride
• Synonyms: 3-Pyrrolidinyl cyclopentanecarboxylate hydrochloride

Database IDs

• MDL Number: MFCD13559837
• PubChem SID: 162050625
• PubChem CID: 56829594

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0481403
• LogD (pH = 7.4): -1.4165103
• Log P: 1.1752803
• Molar Refractivity: 49.305 cm^3
• Polarizability: 19.986265 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false