chempirical

(+)-Ethyl nipecotate

C8H15NO2CAS 37675-18-6157.21 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

Identifiers

CAS number
37675-18-6
SMILES
CCOC(=O)[C@H]1CCCNC1
InChIKey
XIWBSOUNZWSFKU-ZETCQYMHSA-N
InChI
InChI=1S/C8H15NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3/t7-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 3-Piperidinecarboxylic acid, ethyl ester, (3S)-
  • 3-Piperidinecarboxylic acid, ethyl ester, (S)-
  • (S)-Ethyl nipecotate
  • Ethyl (S)-3-piperidinecarboxylate
  • (S)-(+)-Ethyl nipecotate
  • Ethyl (3S)-piperidine-3-carboxylate
  • Ethyl (3S)-3-piperidinecarboxylate
  • (S)-(+)-Nipecotic acid ethyl ester
  • 3-Piperidinecarboxylic acid ethyl ester (3S)-

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

Same formula

Ethyl isonipecotate1126-09-6 Tranexamic acid1197-18-8 (αS)-α-Aminocyclohexaneacetic acid14328-51-9 Ethyl 2-piperidinecarboxylate15862-72-3 1-Methylnipecotinic acid methyl ester1690-72-8 Methyl N-methylisonipecotinate1690-75-1 N-(Butoxymethyl)acrylamide1852-16-0 Diethylacetoacetamide2235-46-3

Elsewhere

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