3-aminopiperidine-2,6-dione

• ChemBase ID: 265404
• Molecular Formular: C5H8N2O2
• Molecular Mass: 128.12922
• Monoisotopic Mass: 128.05857751
• SMILES: N1C(=O)C(CCC1=O)N
• Canonical SMILES: NC1CCC(=O)NC1=O
• InChI: InChI=1S/C5H8N2O2/c6-3-1-2-4(8)7-5(3)9/h3H,1-2,6H2,(H,7,8,9)
• InChIKey: NPWMTBZSRRLQNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminopiperidine-2,6-dione
• IUPAC Traditional name: 3-aminopiperidine-2,6-dione
• Synonyms: 3-aminopiperidine-2,6-dione

Database IDs

• MDL Number: MFCD11506223
• PubChem SID: 164321314
• PubChem CID: 134508

CALCULATED PROPERTIES

• Molar Refractivity: 30.0321 cm^3
• Polarizability: 12.091151 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 11.622135
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.758086
• LogD (pH = 7.4): -1.6078079
• Log P: -1.5268506

PROPERTIES

Physical Property

• Melting Point: 214 - 216°C
• Hydrophobicity(logP): -1.403

Product Information

• Purity: 95%