trans-4-Aminocyclohexane carboxylic acid ethyl ester

C₉H₁₇NO₂CAS 1678-68-8171.24 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₉H₁₇NO₂
Molar mass: 171.24 g/mol
Exact mass: 171.1259 Da
logP: 1.07Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

1678-68-8

SMILES

CCOC(=O)C1CCC(CC1)N

InChIKey

WASRJUXSLHUONH-UHFFFAOYSA-N

InChI

InChI=1S/C9H17NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8H,2-6,10H2,1H3

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

Names and synonyms

1 names

Ethyl 4-aminocyclohexanecarboxylate

Work with trans-4-Aminocyclohexane carboxylic acid ethyl ester

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

Ethyl cyclopropanecarboxylate4606-07-977 % similar Ethyl cyclobutanecarboxylate14924-53-966 % similar Ethyl cyclohexanecarboxylate3289-28-963 % similar Ethyl 4-hydroxycyclohexanecarboxylate17159-80-763 % similar trans-Ethyl 4-hydroxycyclohexanecarboxylate3618-04-063 % similar Ethyl isonipecotate1126-09-659 % similar Ethyl 4-oxocyclohexanecarboxylate17159-79-459 % similar Diethyl aminomalonate6829-40-957 % similar

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

Same formula

Ethyl N-piperidinylacetate23853-10-3 Ethyl 1-methylpiperidine-4-carboxylate24252-37-7 (Diethylamino)ethyl acrylate2426-54-2 (3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid261896-39-3 (3S,4S)-4-(2-Methylpropyl)-3-pyrrolidinecarboxylic acid261896-40-6 L-Cyclohexylalanine27527-05-5 L-Proline 1,1-dimethylethyl ester2812-46-6 Ethyl 1-methyl-2-piperidinecarboxylate30727-18-5

Elsewhere

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