chempirical

(Z)-2-(2-Aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic acid

C11H15N3O5SCAS 74440-02-1301.32 g/mol

Open in Covalent MOL file
OOONSNNH2OOH
Carboxylic acidEsterOximePrimary amine

Properties

Molecular formula
C11H15N3O5S
Molar mass
301.32 g/mol
Exact mass
301.0732 Da
logP
0.87Crippen estimate
Polar surface area
124.1 Ų
H-bond donors / acceptors
2 / 8
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
74440-02-1
SMILES
CC(C)(C)OC(=O)CO/N=C(/C1=CSC(=N1)N)\C(=O)O
InChIKey
XSQPXYAKVKORFJ-ZSOIEALJSA-N
InChI
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-

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Work with (Z)-2-(2-Aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic 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-carboxymethoxyiminoacetic acid74440-05-468 % similar 2-[(2-Aminothiazol-4-yl)carboxymethyleneaminooxy]-2-methylpropionic acid80542-76-359 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-((trityloxy)imino)acetic acid128438-01-754 % similar Ethyl 2-(2-aminothiazole-4-yl)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)acetate86299-46-948 % similar (αZ)-α-[[2-(1,1-Dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-2-[(triphenylmethyl)amino]-4-thiazoleacetic acid68672-66-242 % similar (E)-2-(((2-(2-Aminothiazol-4-yl)-3-oxo-3-((2-oxoethyl)amino)prop-1-en-1-yl)amino)oxy)-2-methylpropanoic acid194241-83-342 % similar (αZ)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-propylidene-4-thiazoleacetic acid86978-24-740 % similar 2-Aminothiazole-4-carboxylic acid40283-41-840 % similar

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

Elsewhere

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