(2S)-4-hydroxypyrrolidine-2-carboxylic acid

• ChemBase ID: 102527
• Molecular Formular: C5H9NO3
• Molecular Mass: 131.12986
• Monoisotopic Mass: 131.05824315
• SMILES: OC1CN[C@@H](C1)C(=O)O
• Canonical SMILES: OC1CN[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-/m0/s1
• InChIKey: PMMYEEVYMWASQN-BKLSDQPFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-4-hydroxypyrrolidine-2-carboxylic acid
• IUPAC Traditional name: 4-hydroxy-L-proline
• Synonyms: L-4-Hydroxy-2-pyrrolidine-carboxylic acid; 4-HYDROXY-L-PROLINE; (2S,4S)-(-)-4-Hydroxy-2-pyrrolidine carboxylic acid; HYDROXY-L-PROLINE

Database IDs

• CAS Number: 51-35-4
• EC Number: 200-091-9
• PubChem SID: 162088672
• PubChem CID: 69248

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

Physical Property

• Melting Point: 274 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: TW3586500

DETAILS

MP Biomedicals - 02102015

trans-Isomer
Crystalline

MP Biomedicals - 02194686

Cell Culture Reagent
trans-Isomer
Crystalline