<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">62881</id>
  <title nil="true"/>
  <common-name>N-[2-(carboxymethoxy)ethyl]-N-[2-(octanoylamino)ethyl]glycine</common-name>
  <description>N-[2-(carboxymethoxy)ethyl]-N-[2-(octanoylamino)ethyl]glycine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This organic acid and derivative has the formula C16H30N2O6 and an average molecular weight of 346.42 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>109972</pubchem-id>
  <chemical-formula>C16H30N2O6</chemical-formula>
  <weight>346.42</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">2026-04-02T22:42:24Z</created-at>
  <updated-at type="dateTime">2026-08-28T21:50:21Z</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>CCCCCCCC(=O)NCCN(CCOCC(=O)O)CC(=O)O</moldb-smiles>
  <moldb-formula>C16H30N2O6</moldb-formula>
  <moldb-inchi>InChI=1S/C16H30N2O6/c1-2-3-4-5-6-7-14(19)17-8-9-18(12-15(20)21)10-11-24-13-16(22)23/h2-13H2,1H3,(H,17,19)(H,20,21)(H,22,23)</moldb-inchi>
  <moldb-inchikey>AYVURSOEGHIHDH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">346.210387</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.7</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>98781</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>CHEM058774</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00013616</susdat-id>
  <iupac>2-[2-(carboxymethoxy)ethyl-[2-(octanoylamino)ethyl]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">0</paper-count>
  <sync-id>CED0147921</sync-id>
  <structure-inchikey>AYVURSOEGHIHDH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000004000100000800000000000000000000000000004000000000000100000000002000000000000000000000004000000000000000000000000000000000000000000000000010404000000000020001000080100000000000000000000000020010000000000000000004020000000000000000000000000000000000020000040000000000000000000010080000000020800000000000000001014000000000000001000000000000000000000000008000000000000000000000000000008000004000020000000000000000000000000020000400000000000000000000000000000000000000000010400000001000000000080080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAFwAAAIABBgBgAAAAAQMGAGAAAAAC
AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGACgA
AAADBAgAKAAAAAMCBwBoAAAAAwIBBgBgAAAAAgIGAGAAAAACAgcAIAAAAAMG
AGAAAAACAgYAYAAAAAICCAAgAAAAAgYAYAAAAAICBgAoAAAAAwQIACgAAAAD
AggAaAAAAAMBAQYAYAAAAAICBgAoAAAAAwQIACgAAAADAggAaAAAAAMBAQsA
AQABAgACAwADBAAEBQAFBgAGBwAHCCgCBwkgCQoACgsACwwADA0ADQ4ADg8A
DxAAEBEAERIoAhETIAwUABQVABUWKAIVFyBCAAAAABcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:15:54Z</structure-indexed-at>
</compound>
