(2R)-4-[(benzyloxy)carbonyl]piperazine-2-carboxylic acid

• ChemBase ID: 288588
• Molecular Formular: C13H16N2O4
• Molecular Mass: 264.27714
• Monoisotopic Mass: 264.111007
• SMILES: O=C([C@@H]1NCCN(C(=O)OCc2ccccc2)C1)O
• Canonical SMILES: OC(=O)[C@@H]1NCCN(C1)C(=O)OCc1ccccc1
• InChI: InChI=1S/C13H16N2O4/c16-12(17)11-8-15(7-6-14-11)13(18)19-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,16,17)/t11-/m1/s1
• InChIKey: ARLOIFJEXPDJGV-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-4-[(benzyloxy)carbonyl]piperazine-2-carboxylic acid
• IUPAC Traditional name: (2R)-4-[(benzyloxy)carbonyl]piperazine-2-carboxylic acid
• Synonyms: (R)-4-(Benzyloxycarbonyl)piperazine-2-carboxylic acid

Database IDs

• CAS Number: 276695-09-1
• PubChem SID: 180674119
• PubChem CID: 1514272

CALCULATED PROPERTIES

• Acid pKa: 1.4592522
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5451605
• LogD (pH = 7.4): -1.6649107
• Log P: -1.5439907
• Molar Refractivity: 67.0808 cm^3
• Polarizability: 26.4763 Å^3
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%