3-(2-ethylpiperidin-1-yl)propanoic acid

• ChemBase ID: 306407
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: N1(CCC(=O)O)C(CC)CCCC1
• Canonical SMILES: CCC1CCCCN1CCC(=O)O
• InChI: InChI=1S/C10H19NO2/c1-2-9-5-3-4-7-11(9)8-6-10(12)13/h9H,2-8H2,1H3,(H,12,13)
• InChIKey: OCIPTNURWBXMGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-ethylpiperidin-1-yl)propanoic acid
• IUPAC Traditional name: 3-(2-ethylpiperidin-1-yl)propanoic acid
• Synonyms: 3-(2-ethylpiperidin-1-yl)propanoic acid

Database IDs

• CAS Number: 933719-77-8
• MDL Number: MFCD09703513

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0480574
• LogD (pH = 7.4): -1.0363084
• Log P: -1.0363622
• Molar Refractivity: 51.8569 cm^3
• Polarizability: 20.459267 Å^3
• Polar Surface Area: 40.54 Å^2