CAS 247068-82-2

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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

CAS 247068-82-2

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 Formula	C₁₄H₂₅NO₄
Molecular Weight	271.35 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	67.9
Heavy Atom Count	19
Formal Charge	0
Complexity	359
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1