1-(2-methoxyethyl)piperidine-3-carboxylic acid

• ChemBase ID: 308833
• Molecular Formular: C9H17NO3
• Molecular Mass: 187.23618
• Monoisotopic Mass: 187.12084341
• SMILES: C1(C(=O)O)CN(CCC1)CCOC
• Canonical SMILES: COCCN1CCCC(C1)C(=O)O
• InChI: InChI=1S/C9H17NO3/c1-13-6-5-10-4-2-3-8(7-10)9(11)12/h8H,2-7H2,1H3,(H,11,12)
• InChIKey: KNIRSSPGCMVUBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)piperidine-3-carboxylic acid
• IUPAC Traditional name: 1-(2-methoxyethyl)piperidine-3-carboxylic acid
• Synonyms: 1-(2-methoxyethyl)-3-piperidinecarboxylic acid

Database IDs

• CAS Number: 897094-35-8
• MDL Number: MFCD09662191

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.3626175
• LogD (pH = 7.4): -2.3601174
• Log P: -2.3582513
• Molar Refractivity: 49.2595 cm^3
• Polarizability: 19.342733 Å^3
• Polar Surface Area: 49.77 Å^2