chempirical

Boc-1,4-trans-acha-oh

C13H23NO4CAS 189153-10-4257.33 g/mol

Open in Covalent MOL file
OOHNOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C13H23NO4
Molar mass
257.33 g/mol
Exact mass
257.1627 Da
logP
2.54Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
189153-10-4
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)CC(=O)O
InChIKey
IHXBNSUFUFFBRL-UHFFFAOYSA-N
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-10-6-4-9(5-7-10)8-11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)

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

Names and synonyms

1 names
  • 2-((1s,4s)-4-(((tert-Butoxy)carbonyl)amino)cyclohexyl)acetic acid

Work with Boc-1,4-trans-acha-oh

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-L-beta-homoleucine132549-43-065 % similar exo-3-Boc-aminotropane132234-68-556 % similar (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-152 % similar (S)-3-(Boc-amino)pyrrolidine122536-76-951 % similar (S)-3-((tert-Butoxycarbonyl)amino)-4-(4-nitrophenyl)butanoic acid127106-71-250 % similar [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-649 % similar (3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid204688-61-948 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-547 % 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 (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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