Metabolite 2-hydroxyethyl succinimide
- Name
- 2-hydroxyethyl succinimide
- Description
- Not Available
- Structure
Structure for 2-hydroxyethyl succinimide
- Synonyms
- Not Available
- UNII
- PL9EH675ZV
- CAS number
- Not Available
- Weight
- Average: 143.142
Monoisotopic: 143.058243154 - Chemical Formula
- C6H9NO3
- InChI Key
- TWYIPMITVXPNEM-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H9NO3/c8-4-3-7-5(9)1-2-6(7)10/h8H,1-4H2
- IUPAC Name
- 1-(2-hydroxyethyl)pyrrolidine-2,5-dione
- SMILES
- OCCN1C(=O)CCC1=O
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 128.2156922 predictedDarkChem Lite v0.1.0 [M-H]- 122.383316 predictedDeepCCS 1.0 (2019) [M+H]+ 128.2130922 predictedDarkChem Lite v0.1.0 [M+H]+ 125.5296 predictedDeepCCS 1.0 (2019) [M+Na]+ 128.2026922 predictedDarkChem Lite v0.1.0 [M+Na]+ 134.19203 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 206268
- ZINC
- ZINC000001670883
- Predicted Properties
Property Value Source Water Solubility 515.0 mg/mL ALOGPS logP -1.2 ALOGPS logP -1.5 Chemaxon logS 0.56 ALOGPS pKa (Strongest Acidic) 15.55 Chemaxon pKa (Strongest Basic) -2.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 57.61 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 33.47 m3·mol-1 Chemaxon Polarizability 13.69 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