2-ethylpiperidine-2-carboxylic acid

• ChemBase ID: 309333
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C(=O)(C1(NCCCC1)CC)O
• Canonical SMILES: CCC1(CCCCN1)C(=O)O
• InChI: InChI=1S/C8H15NO2/c1-2-8(7(10)11)5-3-4-6-9-8/h9H,2-6H2,1H3,(H,10,11)
• InChIKey: HXDSPBCJEQJDSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylpiperidine-2-carboxylic acid
• IUPAC Traditional name: 2-ethylpiperidine-2-carboxylic acid
• Synonyms: 2-ethyl-2-piperidinecarboxylic acid

Database IDs

• CAS Number: 1227465-64-6
• MDL Number: MFCD16556131

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1688373
• LogD (pH = 7.4): -1.1688944
• Log P: -1.1687216
• Molar Refractivity: 41.9026 cm^3
• Polarizability: 16.785397 Å^3
• Polar Surface Area: 49.33 Å^2