(2E)-4-((4-Methoxyphenyl)amino)-4-oxo-2-butenoic acid

C₁₁H₁₁NO₄CAS 37902-60-6221.21 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid Ether

Properties

Molecular formula: C₁₁H₁₁NO₄
Molar mass: 221.21 g/mol
Exact mass: 221.0688 Da
logP: 1.27Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

37902-60-6

SMILES

COC1=CC=C(C=C1)NC(=O)/C=C/C(=O)O

InChIKey

CCFLBHDPAUAJMZ-VOTSOKGWSA-N

InChI

InChI=1S/C11H11NO4/c1-16-9-4-2-8(3-5-9)12-10(13)6-7-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)/b7-6+

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Names and synonyms

1 names

4-(4-Methoxyanilino)-4-oxobut-2-enoic acid

Work with (2E)-4-((4-Methoxyphenyl)amino)-4-oxo-2-butenoic 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

4-[(4-Fluorophenyl)amino]-4-oxo-2-butenoic acid60252-79-163 % similar 4-Methoxycinnamic acid830-09-157 % similar trans-4-Methoxycinnamic acid943-89-557 % similar 3-(2,5-Dimethoxyphenyl)-2-propenoic acid10538-51-948 % similar 2',5'-Dimethoxycinnamic acid161282-95-748 % similar (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-448 % similar 2,4-Dimethoxycinnamic acid6972-61-848 % similar 3-(3,5-Dimethoxyphenyl)-2-propenoic acid16909-11-847 % similar

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

Same formula

(S)-Benzyl (2-oxooxetan-3-YL)carbamate26054-60-4 2-Acetoacetylaminobenzoic acid35354-86-0 Ethyl m-nitrocinnamate5396-71-4 Ethyl 3-(4-nitrophenyl)-2-propenoate953-26-4

Elsewhere

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