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

C15H27NO4CAS 946598-34-1285.38 g/mol

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OONHOO
CarbamateEster

Properties

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

Hazards

Danger
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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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