(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
PubChem CID: 25220884
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| Compound Synonyms | 15136-24-0, cyclo(L-Val-L-Leu), Cyclo(L-leucyl-L-valyl), (3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione, (3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione, Cyclo (L-Leu-L-Val), SCHEMBL2869111, CHEMBL1957402, DTXSID50649367, CHEBI:214208, HY-N12056, DA-62582, CS-0891198, (3S,6S)-3-Isobutyl-6-isopropylpiperazine-2,5-dione, (3S,6S)-3-isobutyl-6-isopropyl-piperazine-2,5-dione |
|---|---|
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 261.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | n.a. |
| Iupac Name | (3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C11H20N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UPOUGDHEEGKEGS-IUCAKERBSA-N |
| Fcsp3 | 0.8181818181818182 |
| Logs | -1.952 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.977 |
| Compound Name | (3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 212.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.152 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 212.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4891166 |
| Inchi | InChI=1S/C11H20N2O2/c1-6(2)5-8-10(14)13-9(7(3)4)11(15)12-8/h6-9H,5H2,1-4H3,(H,12,15)(H,13,14)/t8-,9-/m0/s1 |
| Smiles | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)C(C)C |
| Nring | 1.0 |
| 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 Pinellia Pedatisecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all