Ethyl 3-aminocrotonate

C₆H₁₁NO₂CAS 626-34-6129.16 g/mol

Open in Covalent MOL file

Alkene Ester Primary amine

Properties

Molecular formula: C₆H₁₁NO₂
Molar mass: 129.16 g/mol
Exact mass: 129.0790 Da
logP: 0.41Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Double bonds: EE/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

626-34-6

SMILES

CCOC(=O)/C=C(\C)/N

InChIKey

YPMPTULBFPFSEQ-SNAWJCMRSA-N

InChI

InChI=1S/C6H11NO2/c1-3-9-6(8)4-5(2)7/h4H,3,7H2,1-2H3/b5-4+

Weigh it out

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

Work with Ethyl 3-aminocrotonate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ethyl β-aminocrotonate7318-00-5Stereo not defined

Similar compounds

Ethyl 3,3-dimethylacrylate638-10-862 % similar Ethyl 3,3-diethoxy-2-propenoate32002-24-759 % similar Methyl 3-amino-2-butenoate14205-39-157 % similar Ethyl 3-amino-4,4,4-trifluoro-2-butenoate372-29-254 % similar Diethyl maleate141-05-954 % similar Diethyl fumarate623-91-654 % similar Ethyl 2-(oxetan-3-ylidene)acetate922500-91-253 % similar Isopropyl β-aminocrotonate14205-46-052 % similar

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

Same formula

L-Cyclopropylalanine102735-53-5 D-Cyclopropylalanine121786-39-8 4,4-Dimethoxybutanenitrile14618-78-1 N-Acetylmorpholine1696-20-4 (4S)-(-)-4-Isopropyl-2-oxazolidinone17016-83-0 (+)-Pipecolic acid1723-00-8 Dimethylacetoacetamide2044-64-6 (-)-Nipecotic acid25137-00-2

Elsewhere

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