Methyl cis-4-(boc-amino)cyclohexanecarboxylate

C13H23NO4CAS 146307-51-9257.33 g/mol

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OOHNOO
CarbamateEster

Properties

Molecular formula
C13H23NO4
Molar mass
257.33 g/mol
Exact mass
257.1627 Da
logP
2.24Crippen estimate
Polar surface area
64.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
146307-51-9
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)C(=O)OC
InChIKey
RKOQMDUDKCMVFW-UHFFFAOYSA-N
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-10-7-5-9(6-8-10)11(15)17-4/h9-10H,5-8H2,1-4H3,(H,14,16)

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Names and synonyms

1 names
  • Methyl trans-4-(tert-butoxycarbonylamino)cyclohexanecarboxylate

Work with Methyl cis-4-(boc-amino)cyclohexanecarboxylate

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

Methyl cis-3-(boc-amino)C...142733-63-976 % similar Boc-3-iodo-D-alanine methyl ester170848-34-762 % similar Methyl (2R)-2-(((tert-butoxy)carbonyl)amino)-3-iodopropanoate93267-04-062 % similar Boc-trans-4-aminocyclohexanol111300-06-260 % similar tert-Butyl cis-4-hydroxycyclohexylcarbamate167081-25-660 % similar Cis tert-Butyl 4-aminocyclohexylcarbamate177906-48-860 % similar 4-N-Boc-amino-cyclohexanol224309-64-260 % similar Cis tert-Butyl 4-aminocyclohexylcarbamate247570-24-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(tert-Butoxycarbonyl)-L-cyclohexylglycine109183-71-3 Ethyl 1-boc-3-piperidinecarboxylate130250-54-3 1-tert-Butyl 4-ethyl piperidine-1,4-dicarboxylate142851-03-4 3-(1-((tert-Butoxy)carbonyl)piperidin-4-yl)propanoic acid154775-43-6 (1r,4r)-4-((((tert-Butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acid162046-58-4 tert-Butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate175213-46-4 Boc-1,4-trans-acha-oh189153-10-4 Boc-tranexamic acid27687-14-5

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