CAS 86299-47-0

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3 End Use APIs
15 Related Intermediates

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Also known as: 86299-47-0, (z)-2-amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolacetic acid, (2z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid, (z)-2-amino-alpha-[1-(tert-butoxycarbonyl)]-1-1-methylethoxyimino-4-thiazolacetic acid, Mfcd00071569, (z)-2-(2-aminothiazol-4-yl)-2-[(1-tert-butoxycarbonyl-1-methylethoxy)imino]acetic acid

Molecular Formula

C₁₃H₁₉N₃O₅S

Molecular Weight

329.37 g/mol

InChI Key

FNRZBOJFRDVEOG-PXNMLYILSA-N

1 2D Structure

CAS 86299-47-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid

2.1.2 InChI

InChI=1S/C13H19N3O5S/c1-12(2,3)20-10(19)13(4,5)21-16-8(9(17)18)7-6-22-11(14)15-7/h6H,1-5H3,(H2,14,15)(H,17,18)/b16-8-

2.1.3 InChI Key

FNRZBOJFRDVEOG-PXNMLYILSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)C(C)(C)ON=C(C1=CSC(=N1)N)C(=O)O

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C)O/N=C(/C1=CSC(=N1)N)\C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 86299-47-0

2. (z)-2-amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolacetic Acid

3. (2z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic Acid

4. (z)-2-amino-alpha-[1-(tert-butoxycarbonyl)]-1-1-methylethoxyimino-4-thiazolacetic Acid

5. Mfcd00071569

6. (z)-2-(2-aminothiazol-4-yl)-2-[(1-tert-butoxycarbonyl-1-methylethoxy)imino]acetic Acid

7. Mls000714253

8. Schembl2833601

9. Chembl3212852

10. (z)-(2-aminothiazole-4-yl)-2-(tert-butoxycarbonyl)isopropoxyimino)acetic Acid

11. (z)-2-(2-amino-4-thiazolyl)-2-[[[1-(tert-butoxy)-2-methyl-1-oxo-2-propyl]oxy]imino]acetic Acid

12. Ac-075

13. Akos000520616

14. Cs-w006175

15. Am101387

16. As-13249

17. Ls-14237

18. Smr000274233

19. 299a470

20. Sr-01000314746

21. J-502583

22. Sr-01000314746-1

23. (z)-2-amino-alpha-[1-(tert-butoxycarbonyl)]-1-1-methylethoxyimino-4

24. (z)-(2-amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolacetic Acid

25. (z)-2-(2-tert-butoxycarbonylprop-2-oxyimino)-2-(2-amino-thiazol-4-yl) Acetic Acid

26. (z)-2-(2-tert-butoxycarbonylprop-2-oxyimino)-2-(2-amino-thiazol-4-yl)acetic Acid

27. (z)-2-amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolaceticacid

28. (z)-2-(2-aminothiazol-4-yl)-2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)aceticacid

29. 2-[1-(2-aminothiazol-4-yl)-1-carboxy-meth-(z)-ylideneaminooxy]-2-methylpropanoic Acid Tert-butyl Ester

2.3 Create Date

2005-09-17

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₉N₃O₅S
Molecular Weight	329.37 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	329.10454189 g/mol
Monoisotopic Mass	329.10454189 g/mol
Topological Polar Surface Area	152 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	473
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1