Metabolite 4-phthalimidoglutaramic acid
- Name
- 4-phthalimidoglutaramic acid
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 276.2448
Monoisotopic: 276.074621504 - Chemical Formula
- C13H12N2O5
- InChI Key
- CUBMYGDAHSAJPJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H12N2O5/c14-11(18)9(5-6-10(16)17)15-12(19)7-3-1-2-4-8(7)13(15)20/h1-4,9H,5-6H2,(H2,14,18)(H,16,17)
- IUPAC Name
- 4-carbamoyl-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid
- SMILES
- NC(=O)C(CCC(O)=O)N1C(=O)C2=C(C=CC=C2)C1=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]- 159.92189 predictedDeepCCS 1.0 (2019) [M+H]+ 162.27988 predictedDeepCCS 1.0 (2019) [M+Na]+ 168.37305 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 88710
- ChEMBL
- CHEMBL69386
- Predicted Properties
Property Value Source Water Solubility 0.605 mg/mL ALOGPS logP 0.21 ALOGPS logP -0.2 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 3.64 Chemaxon pKa (Strongest Basic) -4.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 117.77 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 67.4 m3·mol-1 Chemaxon Polarizability 26.29 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