Boc-1,4-trans-acha-oh

C₁₃H₂₃NO₄CAS 189153-10-4257.33 g/mol

Open in Covalent MOL file

Carbamate Carboxylic 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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)

Weigh it out

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

tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate239074-29-468 % similar Boc-L-beta-homoleucine132549-43-065 % similar (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-063 % similar Boc-trans-4-aminocyclohexanol111300-06-263 % similar tert-Butyl cis-4-hydroxycyclohexylcarbamate167081-25-663 % similar 4-N-Boc-amino-cyclohexanol224309-64-263 % similar Ethyl trans-2-[4-(boc-amino)cyclohexyl]acetate946598-34-162 % similar Boc-D-aspartic acid62396-48-962 % 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 Boc-tranexamic acid27687-14-5

Elsewhere

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