1-(morpholin-4-yl)cyclopentane-1-carboxylic acid hydrochloride

• ChemBase ID: 273524
• Molecular Formular: C10H18ClNO3
• Molecular Mass: 235.70782
• Monoisotopic Mass: 235.09752112
• SMILES: C1(N2CCOCC2)(C(=O)O)CCCC1.Cl
• Canonical SMILES: OC(=O)C1(CCCC1)N1CCOCC1.Cl
• InChI: InChI=1S/C10H17NO3.ClH/c12-9(13)10(3-1-2-4-10)11-5-7-14-8-6-11;/h1-8H2,(H,12,13);1H
• InChIKey: KOXUPXSEWBXWBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)cyclopentane-1-carboxylic acid hydrochloride
• IUPAC Traditional name: 1-(morpholin-4-yl)cyclopentane-1-carboxylic acid hydrochloride
• Synonyms: 1-(morpholin-4-yl)cyclopentane-1-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD18785500
• PubChem SID: 164329434
• PubChem CID: 54592866

CALCULATED PROPERTIES

• Acid pKa: 1.6354513
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6921588
• LogD (pH = 7.4): -1.704728
• Log P: -1.6921533
• Molar Refractivity: 51.6002 cm^3
• Polarizability: 20.458927 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 232 - 234°C
• Hydrophobicity(logP): 1.406

Product Information

• Purity: 95%