2-[cyclohexyl(methyl)amino]propanoic acid

• ChemBase ID: 308061
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: N(C(C(=O)O)C)(C1CCCCC1)C
• Canonical SMILES: CC(N(C1CCCCC1)C)C(=O)O
• InChI: InChI=1S/C10H19NO2/c1-8(10(12)13)11(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,13)
• InChIKey: WTDHSXGBDZBWAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[cyclohexyl(methyl)amino]propanoic acid
• IUPAC Traditional name: 2-[cyclohexyl(methyl)amino]propanoic acid
• Synonyms: N-cyclohexyl-N-methylalanine

Database IDs

• MDL Number: MFCD09711431

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6946582
• LogD (pH = 7.4): -0.6946316
• Log P: -0.6945711
• Molar Refractivity: 51.5808 cm^3
• Polarizability: 20.459267 Å^3
• Polar Surface Area: 40.54 Å^2