Metabolite alpha-(o-carboxybenzamido)glutarimide
- Name
- alpha-(o-carboxybenzamido)glutarimide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 276.248
Monoisotopic: 276.074621494 - Chemical Formula
- C13H12N2O5
- InChI Key
- QTUSGYNZYGYXIN-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H12N2O5/c16-10-6-5-9(12(18)15-10)14-11(17)7-3-1-2-4-8(7)13(19)20/h1-4,9H,5-6H2,(H,14,17)(H,19,20)(H,15,16,18)
- IUPAC Name
- 2-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoic acid
- SMILES
- OC(=O)C1=C(C=CC=C1)C(=O)NC1CCC(=O)NC1=O
- Reactions
- Thalidomide alpha-(o-carboxybenzamido)glutarimide
- alpha-(o-carboxybenzamido)glutarimide Phthalic Acid and alpha-aminoglutarimide
- alpha-(o-carboxybenzamido)glutarimide 2-(o-carboxybenzamido)glutaramic acid
- 2-(o-carboxybenzamido)glutaramic acid L-Glutamine and Phthalic Acid
- 2-(o-carboxybenzamido)glutaramic acid 2-(o-carboxybenzamido)glutaric acid
- 2-(o-carboxybenzamido)glutaric acid Glutamic acid and Phthalic Acid
- Thalidomide alpha-(o-carboxybenzamido)glutarimide
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 165.07495 predictedDeepCCS 1.0 (2019) [M+H]+ 167.43297 predictedDeepCCS 1.0 (2019) [M+Na]+ 173.52641 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 118657
- ChEMBL
- CHEMBL4578369
- Predicted Properties
Property Value Source logP -0.2 Chemaxon pKa (Strongest Acidic) 3.66 Chemaxon pKa (Strongest Basic) -1.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 112.57 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 67.4 m3·mol-1 Chemaxon Polarizability 25.44 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon