(2S)-piperidine-2-carboxylic acid

• ChemBase ID: 800332
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: C1CCN[C@@H](C1)C(=O)O
• Canonical SMILES: OC(=O)[C@@H]1CCCCN1
• InChI: InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
• InChIKey: HXEACLLIILLPRG-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-piperidine-2-carboxylic acid
• IUPAC Traditional name: L-pipecolic acid
• Synonyms: (S)-Piperidine-2-carboxylic acid

Database IDs

• CAS Number: 3105-95-1

CALCULATED PROPERTIES

• Acid pKa: 2.0631034
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.124041
• LogD (pH = 7.4): -2.1243129
• Log P: -2.1239622
• Molar Refractivity: 32.6653 cm^3
• Polarizability: 13.120767 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%