chempirical

N-[[(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl]carbonyl]glycine ethyl ester

C15H27NO3CAS 68489-14-5269.38 g/mol

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OONHO
Ester

Properties

Molecular formula
C15H27NO3
Molar mass
269.38 g/mol
Exact mass
269.1991 Da
logP
3.21Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
68489-14-5
SMILES
CCOC(=O)CN=C(O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIKey
GWRCTWAPTXBPHW-FRRDWIJNSA-N
InChI
InChI=1S/C15H27NO3/c1-5-19-14(17)9-16-15(18)13-8-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,16,18)/t11-,12+,13-/m1/s1

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Names and synonyms

5 names
  • Glycine, N-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]carbonyl]-, ethyl ester
  • Glycine, N-[[5-methyl-2-(1-methylethyl)cyclohexyl]carbonyl]-, ethyl ester, [1R-(1α,2β,5α)]-
  • CPS 337
  • Ethyl 3-(p-menthane-3-carboxamido)acetate
  • FEMA 4309

Work with N-[[(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl]carbonyl]glycine ethyl ester

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

N-Ethyl-P-menthane-3-carboxamide39711-79-061 % similar Ethyl acetamidoacetate1906-82-744 % similar 1-(2-Phenylacetyl)-L-prolylglycine ethy ester157115-85-043 % similar Succinic acid menthol monoester77341-67-441 % similar N-(Diphenylmethylene)glycine ethyl ester69555-14-240 % similar (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate111969-64-339 % similar Ethyl 3-oxo-2-piperazineacetate33422-35-438 % similar Ethyl 3-methylpentanoate5870-68-837 % similar

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

Elsewhere

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