2-[(2-Aminothiazol-4-yl)carboxymethyleneaminooxy]-2-methylpropionic acid

C₉H₁₁N₃O₅SCAS 80542-76-3273.26 g/mol

Open in Covalent MOL file

Carboxylic acid Oxime Primary amine

Properties

Molecular formula: C₉H₁₁N₃O₅S
Molar mass: 273.26 g/mol
Exact mass: 273.0419 Da
logP: 0.39Crippen estimate
Polar surface area: 135.1 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 5

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

80542-76-3

SMILES

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

InChIKey

VNCBMEHASYISTH-UHFFFAOYSA-N

InChI

InChI=1S/C9H11N3O5S/c1-9(2,7(15)16)17-12-5(6(13)14)4-3-18-8(10)11-4/h3H,1-2H3,(H2,10,11)(H,13,14)(H,15,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-[(2-Aminothiazol-4-yl)carboxymethyleneaminooxy]-2-methylpropionic 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-((trityloxy)imino)acetic acid128438-01-767 % similar (E)-2-(((2-(2-Aminothiazol-4-yl)-3-oxo-3-((2-oxoethyl)amino)prop-1-en-1-yl)amino)oxy)-2-methylpropanoic acid194241-83-366 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic acid74440-02-159 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-carboxymethoxyiminoacetic acid74440-05-457 % similar Ethyl 2-(2-aminothiazole-4-yl)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)acetate86299-46-951 % similar (αZ)-α-[[2-(1,1-Dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-2-[(triphenylmethyl)amino]-4-thiazoleacetic acid68672-66-251 % similar tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate158183-05-243 % similar 2-Aminothiazole-4-carboxylic acid40283-41-843 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook