3-(2,5-dioxopyrrolidin-1-yl)propanamide

• ChemBase ID: 269704
• Molecular Formular: C7H10N2O3
• Molecular Mass: 170.1659
• Monoisotopic Mass: 170.06914219
• SMILES: N1(C(=O)CCC1=O)CCC(=O)N
• Canonical SMILES: NC(=O)CCN1C(=O)CCC1=O
• InChI: InChI=1S/C7H10N2O3/c8-5(10)3-4-9-6(11)1-2-7(9)12/h1-4H2,(H2,8,10)
• InChIKey: PRGLUJFHJNBBQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dioxopyrrolidin-1-yl)propanamide
• IUPAC Traditional name: 3-(2,5-dioxopyrrolidin-1-yl)propanamide
• Synonyms: 3-(2,5-dioxopyrrolidin-1-yl)propanamide

Database IDs

• MDL Number: MFCD02251723
• PubChem SID: 164325614
• PubChem CID: 13727242

CALCULATED PROPERTIES

• Acid pKa: 15.909545
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8617421
• LogD (pH = 7.4): -1.861742
• Log P: -1.861742
• Molar Refractivity: 39.7843 cm^3
• Polarizability: 15.521837 Å^3
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.387

Product Information

• Purity: 95%