(3S,6S)-3-[(2R)-butan-2-yl]-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID: 97301448
Connections displayed (default: 10).
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| Topological Polar Surface Area | 58.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 276.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3S,6S)-3-[(2R)-butan-2-yl]-6-(2-methylpropyl)piperazine-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C12H22N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CCMDAWLYCNFDFN-UTLUCORTSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -2.371 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.923 |
| Compound Name | (3S,6S)-3-[(2R)-butan-2-yl]-6-(2-methylpropyl)piperazine-2,5-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 226.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.168 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 226.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.736884 |
| Inchi | InChI=1S/C12H22N2O2/c1-5-8(4)10-12(16)13-9(6-7(2)3)11(15)14-10/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t8-,9+,10+/m1/s1 |
| Smiles | CC[C@@H](C)[C@H]1C(=O)N[C@H](C(=O)N1)CC(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