chempirical

Ethyl (2R,4R)-4-methyl-2-piperidinecarboxylate

C9H17NO2CAS 74892-82-3171.24 g/mol

Open in Covalent MOL file
OOHN
EsterSecondary amine

Properties

Molecular formula
C9H17NO2
Molar mass
171.24 g/mol
Exact mass
171.1259 Da
logP
0.94Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
74892-82-3
SMILES
CCOC(=O)[C@H]1C[C@H](C)CCN1
InChIKey
GHBNOCBWSUHAAA-HTQZYQBOSA-N
InChI
InChI=1S/C9H17NO2/c1-3-12-9(11)8-6-7(2)4-5-10-8/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1

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

Names and synonyms

3 names
  • 2-Piperidinecarboxylic acid, 4-methyl-, ethyl ester, (2R,4R)-
  • 2-Piperidinecarboxylic acid, 4-methyl-, ethyl ester, (2R-trans)-
  • (2R,4R)-4-Methyl-2-piperidinecarboxylic acid ethyl ester

Work with Ethyl (2R,4R)-4-methyl-2-piperidinecarboxylate

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 2-piperidinecarboxylate15862-72-361 % similar Ethyl 2-piperidinecarboxylate35677-84-061 % similar Hydroxyproline ethyl ester hydrochloride33996-30-451 % similar Ethyl isonipecotate1126-09-649 % similar Diethyl isobutylmalonate10203-58-447 % similar Ethyl cyclopropanecarboxylate4606-07-947 % similar Diethyl methylmalonate609-08-547 % similar Ethyl isobutyrate97-62-147 % similar

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

Same formula

Ethyl N-piperidinylacetate23853-10-3 (Diethylamino)ethyl acrylate2426-54-2 (3S,4S)-4-(2-Methylpropyl)-3-pyrrolidinecarboxylic acid261896-40-6 L-Proline 1,1-dimethylethyl ester2812-46-6 Ethyl 1-methyl-2-piperidinecarboxylate30727-18-5 Ethyl 1-methyl-3-piperidinecarboxylate5166-67-6 Gabapentin60142-96-3 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-9

Elsewhere

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