(3S,8AR)-3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID: 7074740
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cyclo(L-Leu-D-Pro), (3S,8AR)-3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione, cyclo-(D-Pro-L-Leu), CHEMBL460767, HY-P5034A, CS-1051259, (3S,8aR)-3-isobutyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
|---|---|
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S,8aR)-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C11H18N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SZJNCZMRZAUNQT-DTWKUNHWSA-N |
| Fcsp3 | 0.8181818181818182 |
| Logs | -1.717 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.228 |
| Compound Name | (3S,8AR)-3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 210.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.137 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 210.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9189173999999993 |
| Inchi | InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9+/m0/s1 |
| Smiles | CC(C)C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Scabrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all