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CHEBI:230366 - 1-Tert-Butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate

Default Structure
ChEBI IDCHEBI:230366
ChEBI Name1-Tert-Butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21NO5
Net Charge0
Average Mass271.313
Monoisotopic Mass271.14197
SMILESCCOC(=O)C1CCN(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C13H21NO5/c1-5-18-11(16)9-6-7-14(8-10(9)15)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3
InChIKeyWCTXJAXKORIYNA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1-Tert-Butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate (CHEBI:230366) is a carboxylic acid (CHEBI:33575)
1-Tert-Butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate (CHEBI:230366) is a piperidines (CHEBI:26151)
IUPAC Name 
1-O-tert-butyl 4-O-ethyl 3-oxopiperidine-1,4-dicarboxylate
Manual XrefsDatabases
13336014ChemSpider
HMDB0247311HMDB