<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365690</id>
  <title nil="true"/>
  <common-name>(2-acetamido-3-carboxypropyl)-trimethylazanium</common-name>
  <description>(2-acetamido-3-carboxypropyl)-trimethylazanium is a compound with the chemical formula C9H19N2O3+. It has an average molecular weight of 203.26 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>127170</pubchem-id>
  <chemical-formula>C9H19N2O3+</chemical-formula>
  <weight>203.26</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">2026-09-01T16:27:13Z</created-at>
  <updated-at type="dateTime">2026-09-01T16:27:13Z</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(=O)NC(CC(=O)O)C[N+](C)(C)C</moldb-smiles>
  <moldb-formula>C9H19N2O3+</moldb-formula>
  <moldb-inchi>InChI=1S/C9H18N2O3/c1-7(12)10-8(5-9(13)14)6-11(2,3)4/h8H,5-6H2,1-4H3,(H-,10,12,13,14)/p+1</moldb-inchi>
  <moldb-inchikey>UWNPJVFSZBPJQO-UHFFFAOYSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">203.1395675</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.8</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>CHEM361583</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-acetamido-3-carboxypropyl)-trimethylazanium</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>CED0315638</sync-id>
  <structure-inchikey>UWNPJVFSZBPJQO-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000400000000000000000000000000000004000000000000000001000000000000000004000002000000000000000000000000000000000000000000000000000008000020000000000000000000000000000000000000010000000000000000000000000100000000000000000800000000400000000040000000000000001000040080000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000410000000000000000000000000000028000000040000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���`�������(�������(�������h��������`�������`�������(�������(�������h��������`������ "�������`�������`�������`�����������(��� �����������(��� �	�	
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  <structure-indexed-at type="dateTime">2026-09-19T06:01:43Z</structure-indexed-at>
</compound>
