2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 275618
• Molecular Formular: C7H11N3O3
• Molecular Mass: 185.18054
• Monoisotopic Mass: 185.08004123
• SMILES: C1(=O)NC(=O)C(N1CC(=O)N)(C)C
• Canonical SMILES: NC(=O)CN1C(=O)NC(=O)C1(C)C
• InChI: InChI=1S/C7H11N3O3/c1-7(2)5(12)9-6(13)10(7)3-4(8)11/h3H2,1-2H3,(H2,8,11)(H,9,12,13)
• InChIKey: NOQCJLXBVDNVFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide
• Synonyms: 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide

Database IDs

• MDL Number: MFCD18917385
• PubChem SID: 164331528
• PubChem CID: 54593779

CALCULATED PROPERTIES

• Acid pKa: 10.144632
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5539833
• LogD (pH = 7.4): -1.5547459
• Log P: -1.5539736
• Molar Refractivity: 43.0568 cm^3
• Polarizability: 16.69099 Å^3
• Polar Surface Area: 92.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 156°C
• Hydrophobicity(logP): -0.915

Product Information

• Purity: 95%