1-ethylpiperidine-2-carboxylic acid

• ChemBase ID: 306536
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: N1(C(C(=O)O)CCCC1)CC
• Canonical SMILES: CCN1CCCCC1C(=O)O
• InChI: InChI=1S/C8H15NO2/c1-2-9-6-4-3-5-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
• InChIKey: YTPIYJQYZRVUHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylpiperidine-2-carboxylic acid
• IUPAC Traditional name: 1-ethylpiperidine-2-carboxylic acid
• Synonyms: 1-ethylpiperidine-2-carboxylic acid

Database IDs

• CAS Number: 69081-83-0
• MDL Number: MFCD08059312

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6433059
• LogD (pH = 7.4): -1.6435463
• Log P: -1.6432484
• Molar Refractivity: 42.7086 cm^3
• Polarizability: 16.785397 Å^3
• Polar Surface Area: 40.54 Å^2