chempirical

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

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

Boc-trans-4-aminocyclohexanol111300-06-260 % similar exo-3-Boc-aminotropane132234-68-557 % similar Methyl cyclopropanecarboxylate2868-37-353 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-253 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-053 % similar (S)-3-(Boc-amino)pyrrolidine122536-76-952 % similar 1-(1,1-Dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate124443-68-152 % similar (R)-tert-Butyl (2-oxooxetan-3-yl)carbamate126330-77-651 % 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 1-[(1,1-Dimethylethoxy)carbonyl]-2-piperidinepropanoic acid669713-96-6

Elsewhere

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