(-)-Ethyl nipecotate

C8H15NO2CAS 25137-01-3157.21 g/mol

Open in Covalent MOL file
OONH
EsterSecondary amine

Properties

Molecular formula
C8H15NO2
Molar mass
157.21 g/mol
Exact mass
157.1103 Da
logP
0.55Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 43 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
25137-01-3
SMILES
CCOC(=O)[C@@H]1CCCNC1
InChIKey
XIWBSOUNZWSFKU-SSDOTTSWSA-N
InChI
InChI=1S/C8H15NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3/t7-/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • 3-Piperidinecarboxylic acid, ethyl ester, (3R)-
  • Nipecotic acid, ethyl ester, (R)-(-)-
  • 3-Piperidinecarboxylic acid, ethyl ester, (R)-
  • (R)-Ethyl nipecotate
  • (-)-Nipecotic acid ethyl ester
  • (R)-(-)-Nipecotic acid ethyl ester
  • (R)-3-Piperidinecarboxylic acid ethyl ester
  • Ethyl (R)-3-piperidinecarboxylate
  • (R)-Nipecotic acid ethyl ester
  • (R)-Piperidine-3-carboxylic acid ethyl ester
  • (3R)-3-Piperidinecarboxylic acid ethyl ester
  • Ethyl (3R)-piperidinecarboxylate
  • Ethyl (R)-nipecotate
  • (R)-Ethyl piperidine-3-carboxylate
  • 3-Piperidinecarboxylic acid ethyl ester (3R)-
  • Ethyl (3R)-piperidine-3-carboxylate

Work with (-)-Ethyl nipecotate

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.

(+)-Ethyl nipecotate37675-18-6Enantiomer Ethyl nipecotate5006-62-2Stereo not defined Ethyl nipecotate71962-74-8Stereo not defined (R)-Piperidine-3-carboxylic acid ethyl ester hydrochloride37675-19-7Salt Ethyl (R)-nipecotate L-tartarate167392-57-6Salt

Similar compounds

Ethyl pyrrolidine-3-carboxylate hydrochloride80028-44-074 % similar Methyl (3R)-3-piperidinecarboxylate164323-85-765 % similar Methyl piperidine-3-carboxylate50585-89-265 % similar Ethyl cyclobutanecarboxylate14924-53-965 % similar Ethyl cyclohexanecarboxylate3289-28-963 % similar (S)-3-Methyl piperidine carboxylate hydrochloride164323-84-659 % similar Piperidine-4-carboxylic acid ethyl ester hydrochloride147636-76-858 % similar Ethyl cyclopropanecarboxylate4606-07-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl isonipecotate1126-09-6 Tranexamic acid1197-18-8 (αS)-α-Aminocyclohexaneacetic acid14328-51-9 D-Alpha-cyclohexylglycine14328-52-0 Ethyl 2-piperidinecarboxylate15862-72-3 Methyl 4-piperidineacetate168986-49-0 1-Methylnipecotinic acid methyl ester1690-72-8 Methyl N-methylisonipecotinate1690-75-1

Elsewhere

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