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

• ChemBase ID: 69089
• Molecular Formular: C5H10ClNO3
• Molecular Mass: 167.5908
• Monoisotopic Mass: 167.03492087
• SMILES: N1[C@H](C[C@H](C1)O)C(=O)O.Cl
• Canonical SMILES: O[C@H]1CN[C@H](C1)C(=O)O.Cl
• InChI: InChI=1S/C5H9NO3.ClH/c7-3-1-4(5(8)9)6-2-3;/h3-4,6-7H,1-2H2,(H,8,9);1H/t3-,4-;/m1./s1
• InChIKey: YEJFFQAGTXBSTI-VKKIDBQXSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 77449-94-6; 2584-71-6
• MDL Number: MFCD09749867
• PubChem SID: 162034818
• PubChem CID: 12310682

CALCULATED PROPERTIES

• LogD (pH = 7.4): -3.7165344
• Log P: -3.7163188
• Molar Refractivity: 29.3822 cm^3
• Polarizability: 11.9828205 Å^3
• 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

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%