<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">358519</id>
  <title nil="true"/>
  <common-name>2-[nitro(2,2,2-trinitroethyl)amino]acetic acid</common-name>
  <description>2-[nitro(2,2,2-trinitroethyl)amino]acetic acid is a chemical compound with the formula C4H5N5O10. It has an average molecular weight of 283.11 g/mol.</description>
  <cas>19836-29-4</cas>
  <pubchem-id>29830</pubchem-id>
  <chemical-formula>C4H5N5O10</chemical-formula>
  <weight>283.11</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">2026-09-01T06:16:16Z</created-at>
  <updated-at type="dateTime">2026-09-01T06:16:16Z</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>C(C(=O)O)N(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]</moldb-smiles>
  <moldb-formula>C4H5N5O10</moldb-formula>
  <moldb-inchi>InChI=1S/C4H5N5O10/c10-3(11)1-5(9(18)19)2-4(6(12)13,7(14)15)8(16)17/h1-2H2,(H,10,11)</moldb-inchi>
  <moldb-inchikey>MTDCMUSVMUPSLX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">283.0036414</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0</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>CHEM354412</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>2-[nitro(2,2,2-trinitroethyl)amino]acetic acid</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>CED0308750</sync-id>
  <structure-inchikey>MTDCMUSVMUPSLX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000002000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000004000000000020000000000000001000000000400000000000010000000200000000004000000000010000000000000000000000000000000000000000000000000400000000000000020000200000000000000000000000000000000000000000000000000000000000000000000000000000100000020000020000000000000000000000000800000000000000400000000004000040000800000000000000000000000400000000001000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAEgAAAIABBgBgAAAAAgIGACgAAAAD
BAgAKAAAAAMCCABoAAAAAwEBBwAoAAAAAwMGAGAAAAACAgYAIAAAAAQHICoA
AAABAwQIACgAAAADAgggKgAAAP8DAQcgKgAAAAEDBAgAKAAAAAMCCCAqAAAA
/wMBByAqAAAAAQMECAAoAAAAAwIIICoAAAD/AwEHICoAAAABAwQIACgAAAAD
AgggKgAAAP8DAQsAAQABAigCAQMgAAQABAUABQYABgcABwgoAgcJIAYKAAoL
KAIKDCAGDQANDigCDQ8gBBAgEBEoAhASIEIAAAAAFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:56:10Z</structure-indexed-at>
</compound>
