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

• ChemBase ID: 287521
• Molecular Formular: C5H10ClNO3
• Molecular Mass: 167.5908
• Monoisotopic Mass: 167.03492087
• SMILES: O=C(O)[C@@H]1NC[C@@H](O)C1.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+;/m0./s1
• InChIKey: YEJFFQAGTXBSTI-RFKZQXLXSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 142347-81-7
• MDL Number: MFCD08436165
• PubChem SID: 180673052
• PubChem CID: 44890824

CALCULATED PROPERTIES

• 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
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%