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2D Structure
Also known as: 247068-82-2, 1,1-dimethylethyl n-[(1s)-3-methyl-1-[[(2r)-2-methyl-2-oxiranyl]carbonyl]butyl]carbamate, Tert-butyl ((s)-4-methyl-1-((r)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)carbamate, Tert-butyl n-[(2s)-4-methyl-1-[(2r)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]carbamate, Carbamic acid, n-[(1s)-3-methyl-1-[[(2r)-2-methyl-2-oxiranyl]carbonyl]butyl]-, 1,1-dimethylethyl ester, Mfcd22573306
Molecular Formula
C14H25NO4
Molecular Weight
271.35  g/mol
InChI Key
DDMPMIMTLBGEHT-IINYFYTJSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]carbamate
2.1.2 InChI
InChI=1S/C14H25NO4/c1-9(2)7-10(11(16)14(6)8-18-14)15-12(17)19-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,15,17)/t10-,14+/m0/s1
2.1.3 InChI Key
DDMPMIMTLBGEHT-IINYFYTJSA-N
2.2 Synonyms
2.2.1 MeSH Synonyms

1. (none)

2.2.2 Depositor-Supplied Synonyms

1. 247068-82-2

2. 1,1-dimethylethyl N-[(1s)-3-methyl-1-[[(2r)-2-methyl-2-oxiranyl]carbonyl]butyl]carbamate

3. Tert-butyl ((s)-4-methyl-1-((r)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)carbamate

4. Tert-butyl N-[(2s)-4-methyl-1-[(2r)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]carbamate

5. Carbamic Acid, N-[(1s)-3-methyl-1-[[(2r)-2-methyl-2-oxiranyl]carbonyl]butyl]-, 1,1-dimethylethyl Ester

6. Mfcd22573306

7. ((1s)-3-methyl-1-(((2r)-2-methyloxiranyl)carbonyl)butyl)carbamic Acid 1,1-dimethylethyl Ester

8. Tert-butyl (s)-4-methyl-1-((r)-2-methyloxiran-2-yl)-1-oxopentan-2-ylcarbamate

9. Ddmpmimtlbgeht-iinyfytjsa-n

10. [(1s)-3-methyl-1-[[(2r)-2-methyloxiranyl]carbonyl]butyl]carbamic Acid 1,1-dimethylethyl Ester

11. Schembl13884641

12. Dtxsid701124244

13. Cs-m2423

14. Xja06882

15. Akos025291333

16. Ds-7665

17. Ac-28806

18. Sy103734

19. Db-309258

20. En300-367007

21. P13371

22. Z1508686479

23. (2s)-2-(boc-amino)-4-methyl-1-[(2r)-2-methyloxiran-2-yl]-1-oxopentane

24. (s)-2-(boc-amino)-4-methyl-1-[(r)-2-methyloxiran-2-yl]-1-pentanone

25. (2s)-2-(boc-amino)-4-methyl-1-[(2r)-2-methyloxiran-2-yl]-1-oxopentane Ee

26. Tert-butyl N-[(1s)-3-methyl-1-[(2r)-2-methyloxirane-2-carbonyl]butyl]carbamate

27. Tert-butyl((s)-4-methyl-1-((r)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)carbamate

2.3 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 271.35 g/mol
Molecular Formula C14H25NO4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area67.9
Heavy Atom Count19
Formal Charge0
Complexity359
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1