Cas no 153960-35-1 ((R)-2-[(tert-Butyloxycarbonyl)amino]-3,3-dimethylbutanoic acid methyl ester)
![(R)-2-[(tert-Butyloxycarbonyl)amino]-3,3-dimethylbutanoic acid methyl ester structure](https://ossimg.kuujia.com/scimg/154000/153960-35-1x500.png)
153960-35-1 structure
Product Name:(R)-2-[(tert-Butyloxycarbonyl)amino]-3,3-dimethylbutanoic acid methyl ester
CAS No:153960-35-1
MF:C12H23NO4
MW:245.315324068069
CID:2663597
PubChem ID:11954756
Update Time:2025-04-21
(R)-2-[(tert-Butyloxycarbonyl)amino]-3,3-dimethylbutanoic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- N-TERT-BUTOXYCARBONYL-D-TERT-LEUCINE METHYL ESTER
- D-VALINE, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-3-METHYL-, METHYL ESTER
- 153960-35-1
- methyl (2R)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
- (R)-2-[(tert-Butyloxycarbonyl)amino]-3,3-dimethylbutanoic acid methyl ester
- Methyl (R)-2-((tert-butoxycarbonyl)amino)-3,3-dimethylbutanoate
- SCHEMBL26532366
-
- Inchi： 1S/C12H23NO4/c1-11(2,3)8(9(14)16-7)13-10(15)17-12(4,5)6/h8H,1-7H3,(H,13,15)/t8-/m0/s1
- InChI Key： NDACBWZNPPVOJB-QMMMGPOBSA-N
- SMILES： O(C(N[C@@H](C(=O)OC)C(C)(C)C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 245.163
- Monoisotopic Mass: 245.163
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 286
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 64.6A^2
- XLogP3: 2.6
(R)-2-[(tert-Butyloxycarbonyl)amino]-3,3-dimethylbutanoic acid methyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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