(3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID: 162944960
Connections displayed (default: 10).
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| Topological Polar Surface Area | 78.4 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 265.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C10H18N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UBJFWFZZUVUIOS-FXQIFTODSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.277 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.15 |
| Compound Name | (3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 214.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.132 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 214.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8524429999999996 |
| Inchi | InChI=1S/C10H18N2O3/c1-5(2)4-7-9(14)12-8(6(3)13)10(15)11-7/h5-8,13H,4H2,1-3H3,(H,11,15)(H,12,14)/t6-,7-,8-/m0/s1 |
| Smiles | C[C@@H]([C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C)O |
| 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