(2R,4R)-4-hydroxypyrrolidine-2-carboxylic acid

• ChemBase ID: 801036
• Molecular Formular: C5H9NO3
• Molecular Mass: 131.12986
• Monoisotopic Mass: 131.05824315
• SMILES: N1[C@H](C[C@H](C1)O)C(=O)O
• Canonical SMILES: O[C@H]1CN[C@H](C1)C(=O)O
• InChI: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1
• InChIKey: PMMYEEVYMWASQN-QWWZWVQMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,4R)-4-hydroxypyrrolidine-2-carboxylic acid
• IUPAC Traditional name: cis-4-hydroxy-D-proline
• Synonyms: (2R,4R)-4-Hydroxy-pyrrolidine-2-carboxylic acid

Database IDs

• CAS Number: 2584-71-6

CALCULATED PROPERTIES

• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 1.641382
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.7163465
• LogD (pH = 7.4): -3.7165344
• Log P: -3.7163188
• Molar Refractivity: 29.3822 cm^3
• Polarizability: 11.9828205 Å^3

PROPERTIES

Product Information

• Purity: 97%