(3S,8aS)-3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID: 7074739
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| Compound Synonyms | 2873-36-1, Cyclo(-Leu-Pro), cyclo(L-leu-L-pro), Gancidin W, (3S,8aS)-3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione, cyclo(Leu-Pro), Cyclo(L-prolyl-L-leucyl), Cyclo-L-leu-L-pro, Cyclo(L-leucyl-L-prolyl), L-Leucyl-L-proline lactam, L-cyclo(Leu-pro), L-cyclo(Leucyloprolyl), L,L-Cyclo(leucylprolyl), Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)-, (3S,8aS)-, (3S,8aS)-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Maculosin 6, Cyclo(leucyl-prolyl), Cyclo(L-Pro-L-Leu), KQV8MY059B, SZJNCZMRZAUNQT-IUCAKERBSA-N, MFCD00237617, cyclo-(L-Pro-L-Leu), Cyclo(-L-Leu-L-Pro), Cyclo(-L-leucyl-prolyl), CHEMBL508326, SCHEMBL2037800, DTXSID80951384, CHEBI:133094, BDBM163709, HY-P1939, Cyclo L-Pro-L-Leu (Fr. 1-6), AKOS024463311, FC20681, AS-40794, DA-72469, CS-0065365, NS00049404, EN300-28258032, (3S,8aS)-3-(2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, (3S,8AS)-3-(2-METHYLPROPYL)-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE, (3S,8aS)-3-isobutyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, rac-(3R,8aR)-3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione, (3S-trans)-Hexahydro-3-(2-methylpropyl)-pyrrolo[1,2-a]pyrazine-1,4-dione, 3-Isobutylhexahydropyrrolo [1,2-a] pyrazine-1,4-dione, Cyclo (L-leu-L-pro) |
|---|---|
| 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;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | n.a. |
| Iupac Name | (3S,8aS)-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-IUCAKERBSA-N |
| Fcsp3 | 0.8181818181818182 |
| Logs | -1.717 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.228 |
| Compound Name | (3S,8aS)-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 Eschweilera Coriacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Cladocalyx (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Fissistigma Balansae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Peltodon Longipes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Podocarpus Elongata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Salvadora Persica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Ulva Pertusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all