Cas no 1246661-06-2 (1-Pyrrolidinecarboxylic acid, 2-(2-aminoacetyl)-, 1,1-dimethylethyl ester, (2S)-)
1246661-06-2 structure
Product Name:1-Pyrrolidinecarboxylic acid, 2-(2-aminoacetyl)-, 1,1-dimethylethyl ester, (2S)-
CAS No:1246661-06-2
MF:C11H20N2O3
MW:228.288103103638
CID:2117656
Update Time:2023-11-19
1-Pyrrolidinecarboxylic acid, 2-(2-aminoacetyl)-, 1,1-dimethylethyl ester, (2S)- Chemical and Physical Properties
Names and Identifiers
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- (S)-tert-butyl 2-(2-aminoacetyl)pyrrolidine-1-carboxylate
- CID 82391225
- 1-Pyrrolidinecarboxylic acid, 2-(2-aminoacetyl)-, 1,1-dimethylethyl ester, (2S)-
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- Inchi： 1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-5-8(13)9(14)7-12/h8H,4-7,12H2,1-3H3/t8-/m0/s1
- InChI Key： CEXYERGXLJSMPD-QMMMGPOBSA-N
- SMILES： O(C(C)(C)C)C(N1CCC[C@H]1C(CN)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 283
- Topological Polar Surface Area: 72.6
Experimental Properties
- Density: 1.130±0.06 g/cm3(Predicted)
- Boiling Point: 330.4±37.0 °C(Predicted)
- pka: 7.20±0.29(Predicted)
1-Pyrrolidinecarboxylic acid, 2-(2-aminoacetyl)-, 1,1-dimethylethyl ester, (2S)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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