Cas no 74838-81-6 (2,5-Piperazinedione,3-(3-aminopropyl)-, (S)- (9CI))
74838-81-6 structure
Product Name:2,5-Piperazinedione,3-(3-aminopropyl)-, (S)- (9CI)
CAS No:74838-81-6
MF:C7H13N3O2
MW:171.197021245956
CID:557202
PubChem ID:45099529
Update Time:2025-04-19
2,5-Piperazinedione,3-(3-aminopropyl)-, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Piperazinedione,3-(3-aminopropyl)-, (S)- (9CI)
- Cyclo(Gly-Orn)
- (3S)-3-(3-AMINOPROPYL)PIPERAZINE-2,5-DIONE
- 2,5-Piperazinedione,3-(3-aminopropyl)-,(S)-(9ci)
- 74838-81-6
- DTXSID50667940
-
- Inchi: 1S/C7H13N3O2/c8-3-1-2-5-7(12)9-4-6(11)10-5/h5H,1-4,8H2,(H,9,12)(H,10,11)/t5-/m0/s1
- InChI Key: IYSOOSHWCGUPCP-YFKPBYRVSA-N
- SMILES: O=C1[C@H](CCCN)NC(CN1)=O
Computed Properties
- Exact Mass: 171.10089
- Monoisotopic Mass: 171.101
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 193
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 84.2A^2
- XLogP3: -1.5
Experimental Properties
- PSA: 84.22
2,5-Piperazinedione,3-(3-aminopropyl)-, (S)- (9CI) Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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