1-(morpholin-4-yl)cyclohexane-1-carboxylic acid

• ChemBase ID: 310524
• Molecular Formular: C11H19NO3
• Molecular Mass: 213.27346
• Monoisotopic Mass: 213.13649347
• SMILES: C1(N2CCOCC2)(C(=O)O)CCCCC1
• Canonical SMILES: OC(=O)C1(CCCCC1)N1CCOCC1
• InChI: InChI=1S/C11H19NO3/c13-10(14)11(4-2-1-3-5-11)12-6-8-15-9-7-12/h1-9H2,(H,13,14)
• InChIKey: VATDMNDBMBWXNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)cyclohexane-1-carboxylic acid
• IUPAC Traditional name: 1-(morpholin-4-yl)cyclohexane-1-carboxylic acid
• Synonyms: 1-morpholin-4-ylcyclohexanecarboxylic acid

Database IDs

• MDL Number: MFCD05230902

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2487167
• LogD (pH = 7.4): -1.2575674
• Log P: -1.2487652
• Molar Refractivity: 56.2012 cm^3
• Polarizability: 22.29071 Å^3
• Polar Surface Area: 49.77 Å^2