tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate

C₁₂H₂₃NO₃CAS 239074-29-4229.32 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₂H₂₃NO₃
Molar mass: 229.32 g/mol
Exact mass: 229.1678 Da
logP: 2.06Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

239074-29-4

SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)CO

InChIKey

SGNKPJPMWHKOJO-UHFFFAOYSA-N

InChI

InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h9-10,14H,4-8H2,1-3H3,(H,13,15)

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Names and synonyms

1 names

rac-tert-Butyl ((1s,4s)-4-(hydroxymethyl)cyclohexyl)carbamate

Work with tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate

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

tert-Butyl trans-3-hydroxymethylcyclobutylcarbamate167081-37-075 % similar (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-168 % similar Boc-trans-4-aminocyclohexanol111300-06-268 % similar tert-Butyl cis-4-hydroxycyclohexylcarbamate167081-25-668 % similar 4-N-Boc-amino-cyclohexanol224309-64-268 % similar Boc-1,4-trans-acha-oh189153-10-468 % similar Boc-D-leucinol106930-51-263 % similar exo-3-Boc-aminotropane132234-68-561 % similar

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

Same formula

tert-Butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate118811-03-3 Icaridin119515-38-7 tert-Butyl 3-(2-hydroxyethyl)piperidine-1-carboxylate146667-84-7 1-Boc-4-(hydroxymethyl)-4-methyl-piperidine236406-21-6

Elsewhere

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