chempirical

N-(tert-Butoxycarbonyl)-L-cyclohexylglycine

C13H23NO4CAS 109183-71-3257.33 g/mol

Open in Covalent MOL file
OONHOOH
Carboxylic acid

Properties

Molecular formula
C13H23NO4
Molar mass
257.33 g/mol
Exact mass
257.1627 Da
logP
2.75Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
109183-71-3
SMILES
CC(C)(C)OC(O)=N[C@H](C(=O)O)C1CCCCC1
InChIKey
QSUXZIPXYDQFCX-JTQLQIEISA-N
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • Cyclohexaneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-
  • Cyclohexaneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (S)-
  • (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexaneacetic acid
  • (S)-N-(tert-Butoxycarbonyl)cyclohexylglycine
  • (S)-2-[(tert-Butoxycarbonyl)amino]-2-(cyclohexyl)acetic acid
  • (S)-N-Boc-cyclohexylglycine
  • N-Boc-L-cyclohexylglycine
  • (S)-2-(tert-Butoxycarbonylamino)-2-cyclohexylethanoic acid
  • (2S)[(tert-Butoxycarbonyl)amino](cyclohexyl)ethanoic acid
  • (S)-[(tert-Butoxycarbonyl)amino](cyclohexyl)acetic acid
  • (2S)-2-[[(tert-Butoxy)carbonyl]amino]-2-cyclohexylacetic acid

Work with N-(tert-Butoxycarbonyl)-L-cyclohexylglycine

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

(αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutaneacetic acid155905-77-492 % similar Boc-L-valine13734-41-365 % similar N-tert-Butoxycarbonyl-L-threonine2592-18-962 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-threonine55674-67-462 % similar tert-Butoxycarbonyl-L-isoleucine13139-16-761 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-threonine13734-40-260 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-L-threonine48068-25-359 % similar α-tert-Butoxycarbonyl-L-lysine13734-28-659 % similar

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

Same formula

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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