4-hydroxypyrrolidine-2-carboxamide

• ChemBase ID: 233138
• Molecular Formular: C5H10N2O2
• Molecular Mass: 130.1451
• Monoisotopic Mass: 130.07422757
• SMILES: N1C(C(=O)N)CC(C1)O
• Canonical SMILES: NC(=O)C1CC(CN1)O
• InChI: InChI=1S/C5H10N2O2/c6-5(9)4-1-3(8)2-7-4/h3-4,7-8H,1-2H2,(H2,6,9)
• InChIKey: OJSXAYGYRGXDSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxypyrrolidine-2-carboxamide
• IUPAC Traditional name: 4-hydroxypyrrolidine-2-carboxamide
• Synonyms: 4-hydroxypyrrolidine-2-carboxamide

Database IDs

• MDL Number: MFCD04635892
• PubChem SID: 164289048
• PubChem CID: 3673395

CALCULATED PROPERTIES

• Acid pKa: 14.7965765
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -5.1360683
• LogD (pH = 7.4): -3.7483265
• Log P: -2.0517817
• Molar Refractivity: 31.2044 cm^3
• Polarizability: 12.626756 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): -2.161

Product Information

• Purity: 95%