chempirical

tert-Butyl cis-4-hydroxycyclohexylcarbamate

C11H21NO3CAS 167081-25-6215.29 g/mol

Open in Covalent MOL file
OOHNOH
AlcoholCarbamate

Properties

Molecular formula
C11H21NO3
Molar mass
215.29 g/mol
Exact mass
215.1521 Da
logP
1.81Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
167081-25-6
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)O
InChIKey
DQARDWKWPIRJEH-UHFFFAOYSA-N
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)

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Names and synonyms

1 names
  • cis-4-(tert-Butoxycarbonylamino)cyclohexanol

Work with tert-Butyl cis-4-hydroxycyclohexylcarbamate

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

exo-3-Boc-aminotropane132234-68-564 % similar (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-159 % similar (S)-3-(Boc-amino)pyrrolidine122536-76-958 % similar (S)-tert-Butyl (1-hydroxypent-4-en-2-yl)carbamate116613-81-151 % similar Boc-L-beta-homoleucine132549-43-050 % similar (R)-tert-Butyl (2-oxooxetan-3-yl)carbamate126330-77-649 % similar tert-Butyl (7R)-5-azaspiro(2.4)heptan-7-ylcarbamate127199-44-448 % similar N-Boc-(R)-1-amino-2-propanol119768-44-448 % similar

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

Same formula

1,1-Dimethylethyl 3-hydroxy-3-methyl-1-piperidinecarboxylate1104083-27-3 Boc-trans-4-aminocyclohexanol111300-06-2 N-Boc-piperidine-3-methanol116574-71-1 N-Boc-4-piperidinemethanol123855-51-6 1,1-Dimethylethyl 3-(1-hydroxy-1-methylethyl)-1-azetidinecarboxylate1257293-79-0 tert-Butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate140695-84-7 tert-Butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate140695-85-8 N-Boc-piperidine-2-methanol157634-00-9

Elsewhere

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