Ethyl trans-2-[4-(boc-amino)cyclohexyl]acetate

C₁₅H₂₇NO₄CAS 946598-34-1285.38 g/mol

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Carbamate Ester

Properties

Molecular formula: C₁₅H₂₇NO₄
Molar mass: 285.38 g/mol
Exact mass: 285.1940 Da
logP: 3.02Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

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

946598-34-1

SMILES

CCOC(=O)CC1CCC(CC1)NC(=O)OC(C)(C)C

InChIKey

GKBUJPUBSPCDGF-UHFFFAOYSA-N

InChI

InChI=1S/C15H27NO4/c1-5-19-13(17)10-11-6-8-12(9-7-11)16-14(18)20-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,18)

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Names and synonyms

1 names

Ethyl 2-[4-(Boc-amino)cyclohexyl]acetate

Work with Ethyl trans-2-[4-(boc-amino)cyclohexyl]acetate

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

Boc-1,4-trans-acha-oh189153-10-462 % similar tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate239074-29-459 % similar Ethyl 1-[(1,1-dimethylethoxy)carbonyl]-4-piperidineacetate135716-09-556 % similar Boc-trans-4-aminocyclohexanol111300-06-255 % similar tert-Butoxycarbonylamino-acetic acid ethyl ester14719-37-055 % similar tert-Butyl cis-4-hydroxycyclohexylcarbamate167081-25-655 % similar Cis tert-Butyl 4-aminocyclohexylcarbamate177906-48-855 % similar 4-N-Boc-amino-cyclohexanol224309-64-255 % similar

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

Elsewhere

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