(3R,6R)-3,6-dimethylpiperazine-2,5-dione
PubChem CID: 676439
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| Compound Synonyms | Cyclo(-D-Ala-D-Ala), 23927-13-1, (3R,6R)-3,6-dimethylpiperazine-2,5-dione, D-Alanine anhydride, WMN9UY0GSE, Cyclo(D-alanyl-D-alanyl), 2,5-Piperazinedione, 3,6-dimethyl-, (3R,6R)-, Alanine anhydride, cis-(+)-, 2,5-Piperazinedione, 3,6-dimethyl-, (3R-cis)-, Cyclo(D-Ala-D-Ala), (3R,6R)-Dimethyl-piperazine-2,5-dione, MFCD00236939, starbld0009559, UNII-WMN9UY0GSE, CHEMBL4468051, SCHEMBL13074412, DTXSID50350289, AKOS006274201, AT17302, AS-86419, CS-0357210 |
|---|---|
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 159.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,6R)-3,6-dimethylpiperazine-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C6H10N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WWISPHBAYBECQZ-QWWZWVQMSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -0.593 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.628 |
| Compound Name | (3R,6R)-3,6-dimethylpiperazine-2,5-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.074 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 142.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8095796 |
| Inchi | InChI=1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)/t3-,4-/m1/s1 |
| Smiles | 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 Psammosilene Tunicoides (Plant) Rel Props:Source_db:cmaup_ingredients