3-Methyl-octahydropyrrolo(1,2-a)piperazine-1,4-dione
PubChem CID: 6428987
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| Compound Synonyms | 65556-33-4, Cyclo(Pro-Ala), Cyclo-Ala-Pro-diketopiperazine, 3-Methylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 3-methyl-octahydropyrrolo[1,2-a]piperazine-1,4-dione, Cyclo(Val-Hpro), PYRROLO[1,2-A]PYRAZINE-1,4-DIONE, HEXAHYDRO-3-METHYL- (9CI), 3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 3-Methyl-octahydropyrrolo(1,2-a)piperazine-1,4-dione, L,L-Cyclo(prolylalanyl), Cyclo(Ala-Pro) (Bulk), SCHEMBL14952817, DTXSID90423885, WSLYCILIEOFQPK-UHFFFAOYSA-N, BCD-3244, QCA55633, Cyclo(Pro-Ala), Cyclo(-Ala-Pro-), AKOS015936159, FS-6952, HY-139425, CS-0201136, EN300-76315, G21351, 3-methyl-1,4-diazabicyclo[4.3.0]nonan-2,5-dione, 3-Methyl-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione, Z1187847304, 3-METHYL-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE, 989-650-2 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | WSLYCILIEOFQPK-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 0.0 |
| Synonyms | Cyclo(prolylalanyl), (3S-trans)-form, Cyclo(prolylalanyl), L,L-form |
| Heavy Atom Count | 12.0 |
| Compound Name | 3-Methyl-octahydropyrrolo(1,2-a)piperazine-1,4-dione |
| Description | Isolated from cocoa. L,L-Cyclo(prolylalanyl) is found in cocoa and cocoa products. |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.09 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 239.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.19 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -0.9584151999999999 |
| Inchi | InChI=1S/C8H12N2O2/c1-5-8(12)10-4-2-3-6(10)7(11)9-5/h5-6H,2-4H2,1H3,(H,9,11) |
| Smiles | CC1C(=O)N2CCCC2C(=O)N1 |
| Xlogp | -0.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C8H12N2O2 |
- 1. Outgoing r'ship
FOUND_INto/from Psammosilene Tunicoides (Plant) Rel Props:Source_db:cmaup_ingredients