(3S,6S)-3-[(2R)-butan-2-yl]-6-methylpiperazine-2,5-dione
PubChem CID: 97301447
Connections displayed (default: 10).
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| Topological Polar Surface Area | 58.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 228.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3S,6S)-3-[(2R)-butan-2-yl]-6-methylpiperazine-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C9H16N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JDRIJDPCYNFZIT-VQVTYTSYSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -1.376 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.825 |
| Compound Name | (3S,6S)-3-[(2R)-butan-2-yl]-6-methylpiperazine-2,5-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 184.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.121 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 184.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7763817999999998 |
| Inchi | InChI=1S/C9H16N2O2/c1-4-5(2)7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t5-,6+,7+/m1/s1 |
| Smiles | CC[C@@H](C)[C@H]1C(=O)N[C@H](C(=O)N1)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