chempirical

(1r,4r)-4-((((tert-Butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acid

C13H23NO4CAS 162046-58-4257.33 g/mol

Open in Covalent MOL file
OONHOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C13H23NO4
Molar mass
257.33 g/mol
Exact mass
257.1627 Da
logP
2.40Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
162046-58-4
SMILES
CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)O
InChIKey
AZEKNJGFCSHZID-UHFFFAOYSA-N
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-9-4-6-10(7-5-9)11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)

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Names and synonyms

1 names
  • Boc-(4-aminomethyl)-cyclohexane-carboxylic acid

Work with (1r,4r)-4-((((tert-Butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acid

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

(R)-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid132696-45-863 % similar N-Boc-(R)-1-amino-2-propanol119768-44-452 % similar Boc-D-alpha-T-butylglycine124655-17-051 % similar 4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid130309-46-551 % similar trans-4-[(tert-Butoxycarbonyl)amino]cyclohexanecarboxylic acid53292-89-051 % similar cis-4-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid53292-90-351 % similar Boc-L-cyclopentylglycine109183-72-450 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-550 % 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 Methyl cis-4-(boc-amino)cyclohexanecarboxylate146307-51-9 3-(1-((tert-Butoxy)carbonyl)piperidin-4-yl)propanoic acid154775-43-6 1-[(1,1-Dimethylethoxy)carbonyl]-2-piperidinepropanoic acid669713-96-6

Elsewhere

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