Cas no 121537-91-5 (1-Pyrrolidinecarboxylicacid,2-(acetylamino)-,ethylester(9CI))
121537-91-5 structure
Product Name:1-Pyrrolidinecarboxylicacid,2-(acetylamino)-,ethylester(9CI)
CAS No:121537-91-5
MF:C9H16N2O3
MW:200.234942436218
CID:104721
Update Time:2023-04-05
1-Pyrrolidinecarboxylicacid,2-(acetylamino)-,ethylester(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1-Pyrrolidinecarboxylicacid, 2-(acetylamino)-, ethyl ester
- 1-Pyrrolidinecarboxylicacid,2-(acetylamino)-,ethylester(9CI)
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- Inchi： 1S/C9H16N2O3/c1-3-14-9(13)11-6-4-5-8(11)10-7(2)12/h8H,3-6H2,1-2H3,(H,10,12)
- InChI Key： AIPNQBXCZUJKGV-UHFFFAOYSA-N
- SMILES： N1(C(OCC)=O)CCCC1NC(C)=O
Computed Properties
- Exact Mass: 200.116
- Monoisotopic Mass: 200.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 230
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 58.6A^2
1-Pyrrolidinecarboxylicacid,2-(acetylamino)-,ethylester(9CI) Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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