2-(2-oxoimidazolidin-1-yl)acetic acid

• ChemBase ID: 288133
• Molecular Formular: C5H8N2O3
• Molecular Mass: 144.12862
• Monoisotopic Mass: 144.05349213
• SMILES: OC(=O)CN1CCNC1=O
• Canonical SMILES: OC(=O)CN1CCNC1=O
• InChI: InChI=1S/C5H8N2O3/c8-4(9)3-7-2-1-6-5(7)10/h1-3H2,(H,6,10)(H,8,9)
• InChIKey: SIAWJUIPAYPCEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxoimidazolidin-1-yl)acetic acid
• IUPAC Traditional name: (2-oxoimidazolidin-1-yl)acetic acid
• Synonyms: 2-(2-Oxoimidazolidin-1-yl)acetic acid

Database IDs

• CAS Number: 87219-22-5
• MDL Number: MFCD04359282
• PubChem SID: 180673664
• PubChem CID: 1133461

CALCULATED PROPERTIES

• Acid pKa: 3.714141
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.1714923
• LogD (pH = 7.4): -4.6860685
• Log P: -1.3863473
• Molar Refractivity: 31.9483 cm^3
• Polarizability: 12.275473 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%