5-oxo-N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)pyrrolidine-2-carboxamide
PubChem CID: 5320809
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 156.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 376.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-oxo-N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)pyrrolidine-2-carboxamide |
| Prediction Hob | 0.0 |
| Xlogp | -4.0 |
| Molecular Formula | C11H18N2O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YIMATNRWPCRPAU-UHFFFAOYSA-N |
| Fcsp3 | 0.7272727272727273 |
| Logs | -0.712 |
| Rotatable Bond Count | 7.0 |
| Logd | -2.203 |
| Compound Name | 5-oxo-N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)pyrrolidine-2-carboxamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.111 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 290.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.7942136 |
| Inchi | InChI=1S/C11H18N2O7/c14-3-6(9(18)10(19)7(16)4-15)13-11(20)5-1-2-8(17)12-5/h3,5-7,9-10,15-16,18-19H,1-2,4H2,(H,12,17)(H,13,20) |
| Smiles | C1CC(=O)NC1C(=O)NC(C=O)C(C(C(CO)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients