Cas no 96737-45-0 (Ethyl 3-(t-butoxycarbonyl(methyl)amino)-2-methylpropionate)
96737-45-0 structure
Product Name:Ethyl 3-(t-butoxycarbonyl(methyl)amino)-2-methylpropionate
CAS No:96737-45-0
MF:C12H23NO4
MW:245.315324068069
CID:751326
Update Time:2023-08-03
Ethyl 3-(t-butoxycarbonyl(methyl)amino)-2-methylpropionate Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]methylamino]-2-methyl-, ethyl ester
- Ethyl 3-(t-butoxycarbonyl(methyl)amino)-2-methylpropionate
-
- Inchi： 1S/C12H23NO4/c1-7-16-10(14)9(2)8-13(6)11(15)17-12(3,4)5/h9H,7-8H2,1-6H3
- InChI Key： QCKAICTVQYTIFH-UHFFFAOYSA-N
- SMILES： O(C(N(C)CC(C(=O)OCC)C)=O)C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 270
- XLogP3: 1.9
- Topological Polar Surface Area: 55.8
Ethyl 3-(t-butoxycarbonyl(methyl)amino)-2-methylpropionate Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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