3-(5-ethoxypiperidin-3-yl)propanoic acid

• ChemBase ID: 249034
• Molecular Formular: C10H19NO3
• Molecular Mass: 201.26276
• Monoisotopic Mass: 201.13649347
• SMILES: N1CC(CC(C1)OCC)CCC(=O)O
• Canonical SMILES: CCOC1CC(CCC(=O)O)CNC1
• InChI: InChI=1S/C10H19NO3/c1-2-14-9-5-8(6-11-7-9)3-4-10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
• InChIKey: YLRPSXABHRJJHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-ethoxypiperidin-3-yl)propanoic acid
• IUPAC Traditional name: 3-(5-ethoxypiperidin-3-yl)propanoic acid
• Synonyms: 3-(5-ethoxypiperidin-3-yl)propanoic acid

Database IDs

• PubChem SID: 164304944
• PubChem CID: 71758645

CALCULATED PROPERTIES

• Acid pKa: 4.482246
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.987312
• LogD (pH = 7.4): -1.9564828
• Log P: -1.9562029
• Molar Refractivity: 53.0357 cm^3
• Polarizability: 21.174732 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.86

Product Information

• Purity: 95%