<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">76854</id>
  <title nil="true"/>
  <common-name>Ethyl oxamate</common-name>
  <description>Ethyl oxamate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C4H7N1O3 and an average molecular weight of 117.10 g/mol. This compound is further classified under the superclass of organic acids and derivatives.</description>
  <cas>617-36-7</cas>
  <pubchem-id>69238</pubchem-id>
  <chemical-formula>C4H7N1O3</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-04T07:38:46Z</created-at>
  <updated-at type="dateTime">2026-04-04T07:38:46Z</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>CCOC(=O)C(N)=O</moldb-smiles>
  <moldb-formula>C4H7N1O3</moldb-formula>
  <moldb-inchi>InChI=1S/C4H7NO3/c1-2-8-4(7)3(5)6/h2H2,1H3,(H2,5,6)</moldb-inchi>
  <moldb-inchikey>RZMZBHSKPLVQCP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">117.104</moldb-average-mass>
  <moldb-mono-mass type="decimal">117.042593</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>62451</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>CHEM072747</chemdb-id>
  <dsstox-id>DTXSID10210698</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00034778</susdat-id>
  <iupac>ethyl 2-amino-2-oxoacetate</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">443</paper-count>
  <sync-id>CED0011594</sync-id>
  <structure-inchikey>RZMZBHSKPLVQCP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000810000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000010000000000000000000000000000020000000004100000000000000000000000000010000000000000000000000000200000000000000000000000000000000000040000000000000000000000000001000000000000000020000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000040000000000000000000000000002000000000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>e000000000000000000000000000004080004200040000000004000000000800000000001000080000004200080800c00010000442000a00000801100000000000000000020006201000000000040000002000000000000090004200000000000000040000050200000200080100104e804311800000010000200440010040040000800000088000000100400024440000000040800000080000043000000004000000009000020001002c0000000000800000000000000000000000000044000000000000400000000000000000000400000000000080000000000000000000000000000000000000000000000004000000000008050400006</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(�������(�������h��������(�������������� ��(��� �� ��(�B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:24:43Z</structure-indexed-at>
</compound>
