1-hydroxypyrrolidine-2-carboxylic acid

• ChemBase ID: 127761
• Molecular Formular: C5H9NO3
• Molecular Mass: 131.12986
• Monoisotopic Mass: 131.05824315
• SMILES: O=C(O)C1N(O)CCC1
• Canonical SMILES: ON1CCCC1C(=O)O
• InChI: InChI=1S/C5H9NO3/c7-5(8)4-2-1-3-6(4)9/h4,9H,1-3H2,(H,7,8)
• InChIKey: FGMPLJWBKKVCDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hydroxypyrrolidine-2-carboxylic acid
• IUPAC Traditional name: hydroxyproline
• Synonyms: Hydroxyproline

Database IDs

• CAS Number: 51-35-4
• PubChem SID: 162222079
• PubChem CID: 269023; 825
• Chemspider ID: 236516
• MeSH Name: Hydroxyproline
• Unique Ingredient Identifier: RMB44WO89X
• Wikipedia Title: Hydroxyproline

CALCULATED PROPERTIES

• Acid pKa: 4.01594
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.9738079
• LogD (pH = 7.4): -3.629218
• Log P: -0.47898915
• Molar Refractivity: 29.8289 cm^3
• Polarizability: 11.9828205 Å^3
• Polar Surface Area: 60.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true