Boc-alpha-cyclohexyl-D-glycine

C13H23NO4CAS 70491-05-3257.33 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
2.54Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
70491-05-3
SMILES
CC(C)(C)OC(=O)N[C@H](C1CCCCC1)C(=O)O
InChIKey
QSUXZIPXYDQFCX-SNVBAGLBSA-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-/m1/s1

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Names and synonyms

1 names
  • (2R)-2-(((tert-Butoxy)carbonyl)amino)-2-cyclohexylacetic acid

Work with Boc-alpha-cyclohexyl-D-glycine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-(tert-Butoxycarbonyl)-L-cyclohexylglycine109183-71-3Enantiomer

Similar compounds

Boc-L-cyclopentylglycine109183-72-497 % similar (S)-tert-Butoxycarbonylamino-cyclopropyl-acetic acid155976-13-986 % similar Boc-D-cyclopropylglycine609768-49-286 % similar Boc-D-valine22838-58-065 % similar Boc-dl-valine54895-12-465 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-564 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)-3-cyclohexylpropanoic acid37736-82-664 % similar Boc-D-isoleucine55721-65-861 % 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 (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-1,4-trans-acha-oh189153-10-4

Elsewhere

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