<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">303657</id>
  <title nil="true"/>
  <common-name>Ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetate</common-name>
  <description>Ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C16H24N2O7 and an average molecular weight of 356.37 g/mol.</description>
  <cas>61571-09-3</cas>
  <pubchem-id>3046133</pubchem-id>
  <chemical-formula>C16H24N2O7</chemical-formula>
  <weight>356.37</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">2026-08-28T21:00:34Z</created-at>
  <updated-at type="dateTime">2026-08-28T21:00:34Z</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(C(=O)N(C(=O)N(C1=O)CC(=O)OCC)CC(=O)OCC)CC</moldb-smiles>
  <moldb-formula>C16H24N2O7</moldb-formula>
  <moldb-inchi>InChI=1S/C16H24N2O7/c1-5-16(6-2)13(21)17(9-11(19)24-7-3)15(23)18(14(16)22)10-12(20)25-8-4/h5-10H2,1-4H3</moldb-inchi>
  <moldb-inchikey>GBXQXCNGLFVFIP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">356.1583511</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM299550</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>Ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <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" nil="true"/>
  <sync-id>CED0254832</sync-id>
  <structure-inchikey>GBXQXCNGLFVFIP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800800000000000010000000000000000000800000010000000002000020000000000000000000000000000000000000000000000000000000000000000000080000000000000020000000000100000000000000000000000000010080000000004000000000000000000100000000000000000001000002000048000000000000000000000000000000000000000000020000000010000000018000000001000000082000000000000000000000000000000000000000000000000000000000000000000000008000000000002000000000000000000000000000000000000000000000000400000000000000000000000000004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������(�������(�������(�������(�������(�������(�������(�������(�������`�������(�������(�������(�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�����������������(��� �� ��(��� �	 	
(��������(��� ��������������(��� ������������	��B������	��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:12:56Z</structure-indexed-at>
</compound>
