(E)-2-(((2-(2-Aminothiazol-4-yl)-3-oxo-3-((2-oxoethyl)amino)prop-1-en-1-yl)amino)oxy)-2-methylpropanoic acid

C₁₁H₁₄N₄O₅SCAS 194241-83-3314.32 g/mol

Open in Covalent MOL file

Aldehyde Amide Carboxylic acid Oxime Primary amine

Properties

Molecular formula: C₁₁H₁₄N₄O₅S
Molar mass: 314.32 g/mol
Exact mass: 314.0685 Da
logP: -0.38Crippen estimate
Polar surface area: 144.0 Å²
H-bond donors / acceptors: 3 / 8
Rotatable bonds: 7
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

194241-83-3

SMILES

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

InChIKey

XARVANDLQOZMMJ-CHHVJCJISA-N

InChI

InChI=1S/C11H14N4O5S/c1-11(2,9(18)19)20-15-7(8(17)13-3-4-16)6-5-21-10(12)14-6/h4-5H,3H2,1-2H3,(H2,12,14)(H,13,17)(H,18,19)/b15-7-

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Names and synonyms

1 names

2-((((1Z)-1-(2-Aminothiazol-4-yl)-2-((oxoethyl)amino)-2-oxoethylidene)amino)oxy)-2-methylpropanoic acid

Work with (E)-2-(((2-(2-Aminothiazol-4-yl)-3-oxo-3-((2-oxoethyl)amino)prop-1-en-1-yl)amino)oxy)-2-methylpropanoic 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

2-[(2-Aminothiazol-4-yl)carboxymethyleneaminooxy]-2-methylpropionic acid80542-76-366 % similar Ceftazidime ep impurity B97148-38-449 % similar Ethyl 2-(2-aminothiazole-4-yl)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)acetate86299-46-946 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-((trityloxy)imino)acetic acid128438-01-745 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic acid74440-02-142 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-carboxymethoxyiminoacetic acid74440-05-440 % similar tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate158183-05-238 % similar (αZ)-α-[[2-(1,1-Dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-2-[(triphenylmethyl)amino]-4-thiazoleacetic acid68672-66-237 % similar

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

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