(3S,6R)-3-tert-butyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID: 163034675
Connections displayed (default: 10).
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| Topological Polar Surface Area | 58.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 279.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S,6R)-3-tert-butyl-6-propan-2-ylpiperazine-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C11H20N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VURRRCSZDGSKAF-HTQZYQBOSA-N |
| Fcsp3 | 0.8181818181818182 |
| Logs | -2.749 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.554 |
| Compound Name | (3S,6R)-3-tert-butyl-6-propan-2-ylpiperazine-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 | -2.5803166 |
| Inchi | InChI=1S/C11H20N2O2/c1-6(2)7-9(14)13-8(10(15)12-7)11(3,4)5/h6-8H,1-5H3,(H,12,15)(H,13,14)/t7-,8-/m1/s1 |
| Smiles | CC(C)[C@@H]1C(=O)N[C@H](C(=O)N1)C(C)(C)C |
| Nring | 10.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Pedatisecta (Plant) Rel Props:Source_db:cmaup_ingredients