2-[1-(morpholin-4-yl)cyclopentyl]acetic acid hydrochloride

• ChemBase ID: 275991
• Molecular Formular: C11H20ClNO3
• Molecular Mass: 249.7344
• Monoisotopic Mass: 249.11317119
• SMILES: C1(CC(=O)O)(N2CCOCC2)CCCC1.Cl
• Canonical SMILES: OC(=O)CC1(CCCC1)N1CCOCC1.Cl
• InChI: InChI=1S/C11H19NO3.ClH/c13-10(14)9-11(3-1-2-4-11)12-5-7-15-8-6-12;/h1-9H2,(H,13,14);1H
• InChIKey: IIWHAJXKMRSKQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(morpholin-4-yl)cyclopentyl]acetic acid hydrochloride
• IUPAC Traditional name: [1-(morpholin-4-yl)cyclopentyl]acetic acid hydrochloride
• Synonyms: 2-[1-(morpholin-4-yl)cyclopentyl]acetic acid hydrochloride

Database IDs

• MDL Number: MFCD19381999
• PubChem SID: 164331901
• PubChem CID: 54593951

CALCULATED PROPERTIES

• Acid pKa: 3.7069504
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7607497
• LogD (pH = 7.4): -1.7737352
• Log P: -1.7573373
• Molar Refractivity: 56.1494 cm^3
• Polarizability: 22.29071 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): -0.867

Product Information

• Purity: 95%