5-(pyrrolidin-1-yl)pentanoic acid hydrochloride

• ChemBase ID: 263928
• Molecular Formular: C9H18ClNO2
• Molecular Mass: 207.69772
• Monoisotopic Mass: 207.1026065
• SMILES: N1(CCCCC(=O)O)CCCC1.Cl
• Canonical SMILES: OC(=O)CCCCN1CCCC1.Cl
• InChI: InChI=1S/C9H17NO2.ClH/c11-9(12)5-1-2-6-10-7-3-4-8-10;/h1-8H2,(H,11,12);1H
• InChIKey: YGJUVCSTFJRHEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(pyrrolidin-1-yl)pentanoic acid hydrochloride
• IUPAC Traditional name: 5-(pyrrolidin-1-yl)pentanoic acid hydrochloride
• Synonyms: 5-(pyrrolidin-1-yl)pentanoic acid hydrochloride

Database IDs

• MDL Number: MFCD13196207
• PubChem SID: 164319838
• PubChem CID: 45792451

CALCULATED PROPERTIES

• Acid pKa: 4.5331116
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7216841
• LogD (pH = 7.4): -1.6869076
• Log P: -1.6867974
• Molar Refractivity: 47.6691 cm^3
• Polarizability: 18.621471 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 140 - 142°C
• Hydrophobicity(logP): -1.278

Product Information

• Purity: 95%