(2S,4R)-4-hydroxypiperidine-2-carboxylic acid

• ChemBase ID: 804355
• Molecular Formular: C6H11NO3
• Molecular Mass: 145.15644
• Monoisotopic Mass: 145.07389322
• SMILES: [C@H]1(CCN[C@@H](C1)C(=O)O)O
• Canonical SMILES: O[C@@H]1CCN[C@@H](C1)C(=O)O
• InChI: InChI=1S/C6H11NO3/c8-4-1-2-7-5(3-4)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m1/s1
• InChIKey: KRHNXNZBLHHEIU-UHNVWZDZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,4R)-4-hydroxypiperidine-2-carboxylic acid
• IUPAC Traditional name: (2S,4R)-4-hydroxypiperidine-2-carboxylic acid
• Synonyms: (2S,4R)-4-HYDROXYPIPERIDINE-2-CARBOXYLIC ACID

Database IDs

• CAS Number: 1844-40-2

CALCULATED PROPERTIES

• Acid pKa: 1.7826939
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.6561303
• LogD (pH = 7.4): -3.6577153
• Log P: -3.6561286
• Molar Refractivity: 34.2476 cm^3
• Polarizability: 13.797867 Å^3
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%