Cas no 76379-04-9 (Methyl (4R)-4-tert-butoxycarbonylamino-4-carbamoylbutyrate)
76379-04-9 structure
Product Name:Methyl (4R)-4-tert-butoxycarbonylamino-4-carbamoylbutyrate
CAS No:76379-04-9
MF:C11H20N2O5
MW:260.286903381348
CID:537919
Update Time:2023-08-03
Methyl (4R)-4-tert-butoxycarbonylamino-4-carbamoylbutyrate Chemical and Physical Properties
Names and Identifiers
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- Pentanoic acid,5-amino-4-[[(1,1-dimethylethoxy)carbonyl]amino]-5-oxo-, methyl ester,(R)-
- methyl (4R)-4-tert-butoxycarbonylamino-4-carbamoylbutyrate
- CGMQVXPBMLTDSL-SSDOTTSWSA-N
- Methyl t-butyloxycarbonyl-D-isoglutaminate
- Methyl (4R)-4-tert-butoxycarbonylamino-4-carbamoylbutyrate
-
- Inchi： 1S/C11H20N2O5/c1-11(2,3)18-10(16)13-7(9(12)15)5-6-8(14)17-4/h7H,5-6H2,1-4H3,(H2,12,15)(H,13,16)/t7-/m1/s1
- InChI Key： CGMQVXPBMLTDSL-SSDOTTSWSA-N
- SMILES： O(C(N[C@@H](C(N)=O)CCC(=O)OC)=O)C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 322
- XLogP3: -0.8
- Topological Polar Surface Area: 108
Methyl (4R)-4-tert-butoxycarbonylamino-4-carbamoylbutyrate Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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