(2R)-6-methylpiperidine-2-carboxylic acid

• ChemBase ID: 185254
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: N1[C@@H](C(=O)O)CCCC1C
• Canonical SMILES: CC1CCC[C@@H](N1)C(=O)O
• InChI: InChI=1S/C7H13NO2/c1-5-3-2-4-6(8-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5?,6-/m1/s1
• InChIKey: IHLDCUQUFBWSJU-PRJDIBJQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-6-methylpiperidine-2-carboxylic acid
• IUPAC Traditional name: (2R)-6-methylpiperidine-2-carboxylic acid

Database IDs

• PubChem SID: 164241164
• PubChem CID: 16396232

CALCULATED PROPERTIES

• Acid pKa: 2.1519268
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7074949
• LogD (pH = 7.4): -1.7076637
• Log P: -1.7073934
• Molar Refractivity: 37.0841 cm^3
• Polarizability: 14.9515705 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds