Metabolite 4-(o-carboxybenzamido)glutaramic acid
- Name
- 4-(o-carboxybenzamido)glutaramic acid
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 294.263
Monoisotopic: 294.085186179 - Chemical Formula
- C13H14N2O6
- InChI Key
- JOAOKNHCUKCBBE-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H14N2O6/c14-11(18)9(5-6-10(16)17)15-12(19)7-3-1-2-4-8(7)13(20)21/h1-4,9H,5-6H2,(H2,14,18)(H,15,19)(H,16,17)(H,20,21)
- IUPAC Name
- 2-[(1-carbamoyl-3-carboxypropyl)carbamoyl]benzoic acid
- SMILES
- NC(=O)C(CCC(O)=O)NC(=O)C1=C(C=CC=C1)C(O)=O
- Reactions
- Thalidomide 4-phthalimidoglutaramic acid
- 4-phthalimidoglutaramic acid 2-phthalimidoglutaric acid
- 2-phthalimidoglutaric acid 2-(o-carboxybenzamido)glutaric acid
- 2-(o-carboxybenzamido)glutaric acid Glutamic acid and Phthalic Acid
- 2-phthalimidoglutaric acid 2-(o-carboxybenzamido)glutaric acid
- 4-phthalimidoglutaramic acid 4-(o-carboxybenzamido)glutaramic acid
- 4-(o-carboxybenzamido)glutaramic acid 2-(o-carboxybenzamido)glutaric acid
- 2-(o-carboxybenzamido)glutaric acid Glutamic acid and Phthalic Acid
- 4-(o-carboxybenzamido)glutaramic acid Isoglutamine and Phthalic Acid
- 4-(o-carboxybenzamido)glutaramic acid 2-(o-carboxybenzamido)glutaric acid
- 4-phthalimidoglutaramic acid 2-phthalimidoglutaric acid
- Thalidomide 4-phthalimidoglutaramic acid
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 162.81734 predictedDeepCCS 1.0 (2019) [M+H]+ 165.17534 predictedDeepCCS 1.0 (2019) [M+Na]+ 171.26848 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 118561
- Predicted Properties
Property Value Source logP -0.41 Chemaxon pKa (Strongest Acidic) 3.3 Chemaxon pKa (Strongest Basic) -1.7 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 146.79 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 70.48 m3·mol-1 Chemaxon Polarizability 27.84 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon