(Z)-2-(2-Aminothiazol-4-yl)-2-carboxymethoxyiminoacetic acid

C₇H₇N₃O₅SCAS 74440-05-4245.21 g/mol

Open in Covalent MOL file

Carboxylic acid Oxime Primary amine

Properties

Molecular formula: C₇H₇N₃O₅S
Molar mass: 245.21 g/mol
Exact mass: 245.0106 Da
logP: -0.38Crippen estimate
Polar surface area: 135.1 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 5
Double bonds: ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

74440-05-4

SMILES

C1=C(N=C(S1)N)/C(=N/OCC(=O)O)/C(=O)O

InChIKey

BTBQXVJMMALOJT-YHYXMXQVSA-N

InChI

InChI=1S/C7H7N3O5S/c8-7-9-3(2-16-7)5(6(13)14)10-15-1-4(11)12/h2H,1H2,(H2,8,9)(H,11,12)(H,13,14)/b10-5-

Weigh it out

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Work with (Z)-2-(2-Aminothiazol-4-yl)-2-carboxymethoxyiminoacetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(Z)-2-(2-Aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic acid74440-02-168 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-((trityloxy)imino)acetic acid128438-01-758 % similar 2-[(2-Aminothiazol-4-yl)carboxymethyleneaminooxy]-2-methylpropionic acid80542-76-357 % similar 2-Aminothiazole-4-carboxylic acid40283-41-846 % similar 2-(2-Aminothiazol-4-yl) acetic acid hydrochloride66659-20-943 % similar (αZ)-2-(Formylamino)-α-(methoxyimino)-4-thiazoleacetic acid65872-43-741 % similar (E)-2-(((2-(2-Aminothiazol-4-yl)-3-oxo-3-((2-oxoethyl)amino)prop-1-en-1-yl)amino)oxy)-2-methylpropanoic acid194241-83-340 % similar Cefixime79350-37-135 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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