Cas no 35590-65-9 ((3R,6S)-3,6-Dimethyl-2,5-piperazinedione)
35590-65-9 structure
Product Name:(3R,6S)-3,6-Dimethyl-2,5-piperazinedione
CAS No:35590-65-9
MF:C6H10N2O2
MW:142.155801296234
CID:920481
PubChem ID:676438
Update Time:2024-03-01
(3R,6S)-3,6-Dimethyl-2,5-piperazinedione Chemical and Physical Properties
Names and Identifiers
-
- 2,5-piperazinedione, 3,6-dimethyl-, trans-
- DCX75CW75I
- Cyclo(Ala-D-Ala-)
- Alanine anhydride, trans-(+/-)-
- Cyclo(D-alanyl-L-alanine), (+/-)-
- trans-3,6-dimethylpiperazine-2,5-dione
- trans-3,6-Dimethyl-2,5-piperazinedione
- trans-3,6-Dimethyl-2,5-diketopiperazine
- (3R,6S)-3,6-DIMETHYL-2,5-PIPERAZINEDIONE
- 2,5-Piperazinedione, 3,6-dimethyl-, (3R,6S)-rel-
- (3R,6S)-3,6-Dimethyl-2,5-piperazinedione
-
- 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+
- InChI Key: WWISPHBAYBECQZ-ZXZARUISSA-N
- SMILES: O=C1[C@H](C)NC([C@@H](C)N1)=O
Computed Properties
- Exact Mass: 142.074227566g/mol
- Monoisotopic Mass: 142.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 159
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 58.2
- XLogP3: -0.5
(3R,6S)-3,6-Dimethyl-2,5-piperazinedione Related Literature
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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