Cas no 168551-88-0 (Ethyl 2-(2-aminothiazol-4-yl)-2-(((isopropoxycarbonyl)oxy)imino)acetate)

Ethyl 2-(2-aminothiazol-4-yl)-2-(((isopropoxycarbonyl)oxy)imino)acetate structure
168551-88-0 structure
Product Name:Ethyl 2-(2-aminothiazol-4-yl)-2-(((isopropoxycarbonyl)oxy)imino)acetate
CAS No:168551-88-0
MF:C11H15N3O5S
MW:301.31890130043
CID:111094
PubChem ID:18610822
Update Time:2025-04-18

Ethyl 2-(2-aminothiazol-4-yl)-2-(((isopropoxycarbonyl)oxy)imino)acetate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-(2-aminothiazol-4-yl)-2-(((isopropoxycarbonyl)oxy)imino)acetate
    • 2-(2-AMINOTHIAZOLE-4-YL)-2-[2-(TERT.BUTOXYCARBONYL)-METHOXYIMINO]ACETIC ACID
    • 4-Thiazoleacetic acid,2-amino-a-[[[(1-methylethoxy)carbonyl]oxy]imino]-,ethyl ester
    • 2-(2-Aminothiazole-4-yl)-2-[tert--Butoxycarbonyl)-Methoxyimino]AceticAcid
    • 2-(2-Aminothiazol-4-yl)-2-(2-tert-butoxycarbonyl)-methoxyiminoacetic acid
    • 2-(2-aminothiazole-4-yl)-2-[2-(tertbutyl carbonyl)-methoxy imino]acetic acid
    • 2-(2-Aminothiazole-4-yl)-2-[2-
    • SCHEMBL6659009
    • (2-Aminothiazol-4-yl)-tert-butoxycarbonylmethoxyimino acetic acid
    • attma
    • AKOS015964283
    • (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid
    • D81936
    • (z)-2-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic acid
    • AC-5567
    • 2-(2-aminothiazol-4-yl)-(Z)-2-(t-butoxycarbonylmethoxyimino)acetic acid
    • 2-(2-Aminothiazole-4-yl)-2-[2-(tert-butylcarbonyl)methoxyimino]acetic acid
    • 74440-02-1
    • (Z)-2-(2-amino-4-thiazolyl)-2-(t-butoxycarbonylmethoxyimino)acetic acid
    • C11H15N3O5S
    • 2-(2-aminothiazol-4-yl)-2(Z)-(tert-butoxycarbonylmethoxyimino)acetic acid
    • XSQPXYAKVKORFJ-ZSOIEALJSA-N
    • 168551-88-0
    • 4-Thiazoleacetic acid, 2-amino-α-[[[(1-methylethoxy)carbonyl]oxy]imino]-, ethyl ester
    • Inchi： 1S/C11H15N3O5S/c1-11(2,3)19-7(15)4-18-14-8(9(16)17)6-5-20-10(12)13-6/h5H,4H2,1-3H3,(H2,12,13)(H,16,17)/b14-8+
    • InChI Key： XSQPXYAKVKORFJ-RIYZIHGNSA-N
    • SMILES： S1C(N)=NC(=C1)/C(/C(=O)O)=N\OCC(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 301.07335
  • Monoisotopic Mass: 301.07324176g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 7
  • Complexity: 407
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 152?2

Experimental Properties

  • Density: 1.41±0.1 g/cm3(Predicted)
  • Boiling Point: 422.0±37.0 °C(Predicted)
  • PSA: 124.1
  • pka: 1.92±0.10(Predicted)

Ethyl 2-(2-aminothiazol-4-yl)-2-(((isopropoxycarbonyl)oxy)imino)acetate Related Literature

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