<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">363502</id>
  <title nil="true"/>
  <common-name>[carboxy(1-hydroxypropan-2-yl)amino]-(2-hydroxypropyl)carbamic acid</common-name>
  <description>[carboxy(1-hydroxypropan-2-yl)amino]-(2-hydroxypropyl)carbamic acid is a compound with the formula C8H16N2O6. It has an average molecular weight of 236.22 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>118856727</pubchem-id>
  <chemical-formula>C8H16N2O6</chemical-formula>
  <weight>236.22</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">2026-09-01T13:05:36Z</created-at>
  <updated-at type="dateTime">2026-09-01T13:05:36Z</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>CC(CN(C(=O)O)N(C(C)CO)C(=O)O)O</moldb-smiles>
  <moldb-formula>C8H16N2O6</moldb-formula>
  <moldb-inchi>InChI=1S/C8H16N2O6/c1-5(4-11)10(8(15)16)9(7(13)14)3-6(2)12/h5-6,11-12H,3-4H2,1-2H3,(H,13,14)(H,15,16)</moldb-inchi>
  <moldb-inchikey>CPYIJCPBCADBDS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">236.1008362</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.9</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>CHEM359395</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>[carboxy(1-hydroxypropan-2-yl)amino]-(2-hydroxypropyl)carbamic 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>Organic carbonic acids and derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0313535</sync-id>
  <structure-inchikey>CPYIJCPBCADBDS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000001000000000000000000002100000400000001000000000000000000000000004000000000000000000000020000000000000000000000000000000000000000020000000000040000000000000000000000000018000000000000000004000000040000000000000000000000000000000000040000000000000000000001000000000000000000008004000000000000000000200000000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000800000020000000000000000000000080000800000000400000000000000000000000000000000</structure-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:00:09Z</structure-indexed-at>
</compound>
