(2R)-1-[(tert-butoxy)carbonyl]piperidine-2-carboxylic acid

• ChemBase ID: 796725
• Molecular Formular: C11H19NO4
• Molecular Mass: 229.27286
• Monoisotopic Mass: 229.13140809
• SMILES: C1CCN([C@H](C1)C(=O)O)C(=O)OC(C)(C)C
• Canonical SMILES: OC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1
• InChIKey: JQAOHGMPAAWWQO-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1-[(tert-butoxy)carbonyl]piperidine-2-carboxylic acid
• IUPAC Traditional name: (2R)-1-(tert-butoxycarbonyl)piperidine-2-carboxylic acid
• Synonyms: (R)-1-(tert-Butoxycarbonyl)piperidine-2-carboxylic acid

Database IDs

• CAS Number: 28697-17-8

CALCULATED PROPERTIES

• Acid pKa: 4.048332
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.16748306
• LogD (pH = 7.4): -1.5000744
• Log P: 1.6306204
• Molar Refractivity: 57.6604 cm^3
• Polarizability: 22.755922 Å^3
• Polar Surface Area: 66.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%