<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">283070</id>
  <title nil="true"/>
  <common-name>2-[[2-(1h-indol-3-yl)-2-oxoacetyl]amino]acetic acid</common-name>
  <description>2-[[2-(1h-indol-3-yl)-2-oxoacetyl]amino]acetic acid 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 C12H10N2O4 and an average molecular weight of 246.22 g/mol.</description>
  <cas>94732-37-3</cas>
  <pubchem-id>3024380</pubchem-id>
  <chemical-formula>C12H10N2O4</chemical-formula>
  <weight>246.22</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">2026-08-27T18:38:13Z</created-at>
  <updated-at type="dateTime">2026-08-27T18:38:13Z</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>C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NCC(=O)O</moldb-smiles>
  <moldb-formula>C12H10N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C12H10N2O4/c15-10(16)6-14-12(18)11(17)8-5-13-9-4-2-1-3-7(8)9/h1-5,13H,6H2,(H,14,18)(H,15,16)</moldb-inchi>
  <moldb-inchikey>BXENFFOVSLXZQX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">246.0640568</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.2</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>CHEM278963</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-[[2-(1h-indol-3-yl)-2-oxoacetyl]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>CED0234990</sync-id>
  <structure-inchikey>BXENFFOVSLXZQX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000100000000000000000004000000000000000000000000000000008010000000000006000000000000000000004000000000000000000000000000000000000000000020000000000000000000000000000000000100030000000000000000000000000000000000000000000000000000000000000000000000800000200000000080000040000100200000000000000000000080000000000000840000080000000200000080000000000000000000000000000000040000000000000000000000000000000000000000400200000001000000000000000000000041000000000400004000000000000100002000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@h�������@(������@(������@h�������@(������@h�������@8��������(�������(�������(�������(�������h��������`�������(�������(�������h���������h���h���h���h���h���h���h���h��	 	
(�	� ��(�� �������(��� ��h���h�B���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:57:44Z</structure-indexed-at>
</compound>
