2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid

• ChemBase ID: 268775
• Molecular Formular: C9H12N2O4
• Molecular Mass: 212.20258
• Monoisotopic Mass: 212.07970687
• SMILES: N1C(=O)NC2(C1=O)CCC(C(=O)O)CC2
• Canonical SMILES: O=C1NC(=O)C2(N1)CCC(CC2)C(=O)O
• InChI: InChI=1S/C9H12N2O4/c12-6(13)5-1-3-9(4-2-5)7(14)10-8(15)11-9/h5H,1-4H2,(H,12,13)(H2,10,11,14,15)
• InChIKey: GYCQWMQONISFGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid
• IUPAC Traditional name: 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid
• Synonyms: 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid

Database IDs

• MDL Number: MFCD16622203
• PubChem SID: 164324685
• PubChem CID: 11977427

CALCULATED PROPERTIES

• Acid pKa: 4.053283
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.6584642
• LogD (pH = 7.4): -3.32849
• Log P: -0.20005827
• Molar Refractivity: 48.34 cm^3
• Polarizability: 18.981676 Å^3
• Polar Surface Area: 95.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.217

Product Information

• Purity: 95%