Cyclo(D-Pro-L-Val)
PubChem CID: 6992260
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| Compound Synonyms | Cyclo(D-Pro-L-Val), 22155-58-4, (3S,8aR)-3-(propan-2-yl)-octahydropyrrolo[1,2-a]piperazine-1,4-dione, (3S,8aR)-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, (3S,8aR)-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione, CHEMBL454463, SCHEMBL12232894, CHEBI:220860, (3S,8AR)-3-isopropylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione, EN300-20098190 |
|---|---|
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S,8aR)-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C10H16N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XLUAWXQORJEMBD-SFYZADRCSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.217 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.021 |
| Compound Name | Cyclo(D-Pro-L-Val) |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 196.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.121 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 196.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6774499999999997 |
| Inchi | InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)/t7-,8+/m1/s1 |
| Smiles | CC(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 Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Psammosilene Tunicoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all