<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">287525</id>
  <title nil="true"/>
  <common-name>2-[[(3,5-dichlorophenyl)carbamoyl-propan-2-ylcarbamoyl]amino]acetic acid</common-name>
  <description>2-[[(3,5-dichlorophenyl)carbamoyl-propan-2-ylcarbamoyl]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 C13H15Cl2N3O4 and an average molecular weight of 348.18 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>139596532</pubchem-id>
  <chemical-formula>C13H15Cl2N3O4</chemical-formula>
  <weight>348.18</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">2026-08-28T00:01:28Z</created-at>
  <updated-at type="dateTime">2026-08-28T00:01:28Z</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(C)N(C(=O)NCC(=O)O)C(=O)NC1=CC(=CC(=C1)Cl)Cl</moldb-smiles>
  <moldb-formula>C13H15Cl2N3O4</moldb-formula>
  <moldb-inchi>InChI=1S/C13H15Cl2N3O4/c1-7(2)18(12(21)16-6-11(19)20)13(22)17-10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,21)(H,17,22)(H,19,20)</moldb-inchi>
  <moldb-inchikey>OZUVLEPDBNHNST-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">347.0439614</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</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>CHEM283418</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-[[(3,5-dichlorophenyl)carbamoyl-propan-2-ylcarbamoyl]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>CED0239304</sync-id>
  <structure-inchikey>OZUVLEPDBNHNST-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000880000000000000000000000000144000080000000000000001000000000000010000000000006000000000000000000000000000000000000000000400000000000000000000020000000000000000000000000000000000000010000000000000000104000000000000000000000000000000000000000000040002000000000000080000080000000001000000000100000000000020000000000000004400000080000000000100080000000080000000000000000000000000002000000000000000000000010000000000000401000000000000000008000000000000040000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������(�������(�������(�������h��������`�������(�������(�������h��������(�������(�������h�������@(������@h�������@(������@h�������@(������@h�������� ������ ���������������� ��(��� �������	(��
 �� ��(�� � ��h���h���h���h���h���������h�B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:00:51Z</structure-indexed-at>
</compound>
