cyclopentyl 4-aminobutanoate hydrochloride

• ChemBase ID: 273319
• Molecular Formular: C9H18ClNO2
• Molecular Mass: 207.69772
• Monoisotopic Mass: 207.1026065
• SMILES: C(=O)(OC1CCCC1)CCCN.Cl
• Canonical SMILES: NCCCC(=O)OC1CCCC1.Cl
• InChI: InChI=1S/C9H17NO2.ClH/c10-7-3-6-9(11)12-8-4-1-2-5-8;/h8H,1-7,10H2;1H
• InChIKey: VETJGZRAAHEEQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl 4-aminobutanoate hydrochloride
• IUPAC Traditional name: cyclopentyl 4-aminobutanoate hydrochloride
• Synonyms: cyclopentyl 4-aminobutanoate hydrochloride

Database IDs

• MDL Number: MFCD18483322
• PubChem SID: 164329229
• PubChem CID: 54592805

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1448612
• LogD (pH = 7.4): -1.7155043
• Log P: 0.8787943
• Molar Refractivity: 46.6401 cm^3
• Polarizability: 18.871552 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): 1.423

Product Information

• Purity: 95%