chempirical

1,1-Dimethylethyl N-[trans-4-(2-hydroxyethyl)cyclohexyl]carbamate

C13H25NO3CAS 917342-29-1243.35 g/mol

Open in Covalent MOL file
OOHNOH
Alcohol

Properties

Molecular formula
C13H25NO3
Molar mass
243.35 g/mol
Exact mass
243.1834 Da
logP
2.66Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
r, rin SMILES atom order

Identifiers

CAS number
917342-29-1
SMILES
CC(C)(C)OC(O)=N[C@H]1CC[C@H](CCO)CC1
InChIKey
KTNFSGIXLVLQNK-XYPYZODXNA-N
InChI
InChI=1/C13H25NO3/c1-13(2,3)17-12(16)14-11-6-4-10(5-7-11)8-9-15/h10-11,15H,4-9H2,1-3H3,(H,14,16)/t10-,11-

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Names and synonyms

4 names
  • Carbamic acid, N-[trans-4-(2-hydroxyethyl)cyclohexyl]-, 1,1-dimethylethyl ester
  • tert-Butyl [trans-4-(2-hydroxyethyl)cyclohexyl]carbamate
  • trans-2-[4-[(tert-Butoxycarbonyl)amino]cyclohexyl]ethanol
  • 2-[trans-4-[(N-tert-Butoxycarbonyl)amino]cyclohexyl]ethanol

Work with 1,1-Dimethylethyl N-[trans-4-(2-hydroxyethyl)cyclohexyl]carbamate

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

1,1-Dimethylethyl N-[(1R)-3-hydroxy-1-(hydroxymethyl)propyl]carbamate397246-14-972 % similar 1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate195314-59-165 % similar 4-(tert-Butoxycarbonylamino)piperidine73874-95-062 % similar 4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid130309-46-560 % similar trans-4-[(tert-Butoxycarbonyl)amino]cyclohexanecarboxylic acid53292-89-060 % similar cis-4-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid53292-90-360 % similar 1,1-Dimethylethyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate167465-99-859 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine41088-86-259 % similar

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

Same formula

N-Boc-L-cyclohexylglycinol107202-39-1

Elsewhere

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