N-hydroxy-2-{2'-oxo-1',2'-dihydrospiro[1,3-dioxolane-2,3'-indole]-1'-yl}acetamide

• ChemBase ID: 192331
• Molecular Formular: C12H12N2O5
• Molecular Mass: 264.23408
• Monoisotopic Mass: 264.07462149
• SMILES: N1(C(=O)C2(c3c1cccc3)OCCO2)CC(=O)NO
• Canonical SMILES: ONC(=O)CN1c2ccccc2C2(C1=O)OCCO2
• InChI: InChI=1S/C12H12N2O5/c15-10(13-17)7-14-9-4-2-1-3-8(9)12(11(14)16)18-5-6-19-12/h1-4,17H,5-7H2,(H,13,15)
• InChIKey: NWVVXVALUSQYLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-2-{2'-oxo-1',2'-dihydrospiro[1,3-dioxolane-2,3'-indole]-1'-yl}acetamide
• IUPAC Traditional name: N-hydroxy-2-{2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl}acetamide

Database IDs

• PubChem SID: 164248241
• PubChem CID: 3114848

CALCULATED PROPERTIES

• Acid pKa: 8.747642
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.034194317
• LogD (pH = 7.4): -0.052937184
• Log P: -0.033949997
• Molar Refractivity: 62.7862 cm^3
• Polarizability: 24.468517 Å^3
• Polar Surface Area: 88.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds