44834 <common-name>eldoral</common-name> <description>eldoral belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has a chemical formula of C11H17N3O3 and an average molecular weight of 239.28 g/mol.</description> <cas>509-87-5</cas> <pubchem-id>101726</pubchem-id> <chemical-formula>C11H17N3O3</chemical-formula> <weight>239.27</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-06-03T11:12:38Z</created-at> <updated-at type="dateTime">2026-08-18T12:00:07Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCC1(N2CCCCC2)C(O)=NC(=O)N=C1O</moldb-smiles> <moldb-formula>C11H17N3O3</moldb-formula> <moldb-inchi>InChI=1S/C11H17N3O3/c1-2-11(14-6-4-3-5-7-14)8(15)12-10(17)13-9(11)16/h2-7H2,1H3,(H2,12,13,15,16,17)</moldb-inchi> <moldb-inchikey>ZFVLHMJCLWOOOY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">239.275</moldb-average-mass> <moldb-mono-mass type="decimal">239.126991419</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>91912</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM043729</chemdb-id> <dsstox-id>DTXSID70198928</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Oberacher 2011</stoff-ident-origin> <stoff-ident-id>SI00003452</stoff-ident-id> <susdat-id>NS00004343</susdat-id> <iupac>5-ethyl-5-piperidin-1-yl-1,3-diazinane-2,4,6-trione</iupac> <moldb-polar-surface-area>85.49000000000001</moldb-polar-surface-area> <moldb-refractivity>61.0625</moldb-refractivity> <moldb-polarizability>23.881662235908756</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>-0.6782659946200731</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>5.941735000660056</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>0.27</moldb-alogps-logp> <moldb-alogps-logs>-2.28</moldb-alogps-logs> <moldb-alogps-solubility>1.24e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">2061</paper-count> <sync-id>CED0006473</sync-id> <structure-inchikey>ZFVLHMJCLWOOOY-UHFFFAOYSA-N</structure-inchikey> 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<structure-indexed-at type="dateTime">2026-09-19T04:12:20Z</structure-indexed-at> </compound>