(trans-4-Aminocyclohexyl)acetic acid ethyl ester hydrochloride

C10H20ClNO2CAS 76308-26-4221.72 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C10H20ClNO2
Molar mass
221.72 g/mol
Exact mass
221.1183 Da
logP
1.88Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
r, rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
76308-26-4
SMILES
CCOC(=O)C[C@H]1CC[C@H](N)CC1.Cl
InChIKey
KBMWRCPPPDEVSJ-JUAUBFSONA-N
InChI
InChI=1/C10H19NO2.ClH/c1-2-13-10(12)7-8-3-5-9(11)6-4-8;/h8-9H,2-7,11H2,1H3;1H/t8-,9-;

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Names and synonyms

4 names
  • Cyclohexaneacetic acid, 4-amino-, ethyl ester, hydrochloride (1:1), trans-
  • Cyclohexaneacetic acid, 4-amino-, ethyl ester, hydrochloride, trans-
  • trans-2-(4-Aminocyclohexyl)acetic acid ethyl ester hydrochloride
  • Ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride

Work with (trans-4-Aminocyclohexyl)acetic acid ethyl ester hydrochloride

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

Ethyl tetrahydropyran-4-ylacetate103260-44-258 % similar Ethyl 2-(piperidin-4-yl)acetate59184-90-658 % similar Ethyl 2-(4-oxocyclohexyl)acetate58012-34-357 % similar L-Aspartic acid diethyl ester hydrochloride16115-68-756 % similar Diethyl L-glutamate hydrochloride1118-89-450 % similar trans-4-Aminocyclohexane carboxylic acid ethyl ester1678-68-850 % similar (S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride167834-24-450 % similar Glycine ethyl ester hydrochloride623-33-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl (2S)-2-amino-3-cyclohexylpropanoate hydrochloride17193-39-4 Piperidine-4-carboxylic acid tert-butyl ester hydrochloride892493-65-1

Elsewhere

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