Cas no 702679-96-7 (2-Pyrrolidinecarboxamide,1-acetyl-4-amino-, (2S,4S)-)
702679-96-7 structure
Product Name:2-Pyrrolidinecarboxamide,1-acetyl-4-amino-, (2S,4S)-
CAS No:702679-96-7
MF:C7H13N3O2
MW:171.197021245956
CID:557373
PubChem ID:45085758
Update Time:2025-04-19
2-Pyrrolidinecarboxamide,1-acetyl-4-amino-, (2S,4S)- Chemical and Physical Properties
Names and Identifiers
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- 2-Pyrrolidinecarboxamide,1-acetyl-4-amino-, (2S,4S)-
- 2-Pyrrolidinecarboxamide, 1-acetyl-4-amino-, (2S,4S)- (9CI)
- 702679-96-7
- SCHEMBL3058678
- (2S,4S)-1-acetyl-4-aminopyrrolidine-2-carboxamide
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- Inchi： 1S/C7H13N3O2/c1-4(11)10-3-5(8)2-6(10)7(9)12/h5-6H,2-3,8H2,1H3,(H2,9,12)/t5-,6-/m0/s1
- InChI Key： OZBONGMTPVUPIJ-WDSKDSINSA-N
- SMILES： O=C([C@@H]1C[C@@H](CN1C(C)=O)N)N
Computed Properties
- Exact Mass: 171.10089
- Monoisotopic Mass: 171.101
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 217
- 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: 89.4A^2
- XLogP3: -2
Experimental Properties
- PSA: 89.42
2-Pyrrolidinecarboxamide,1-acetyl-4-amino-, (2S,4S)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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