<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">363008</id>
  <title nil="true"/>
  <common-name>2-[carboxy-[3-(dicarboxyamino)propyl]amino]acetic acid</common-name>
  <description>2-[carboxy-[3-(dicarboxyamino)propyl]amino]acetic acid is a chemical compound with the formula C8H12N2O8. It has an average molecular weight of 264.19 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>22833422</pubchem-id>
  <chemical-formula>C8H12N2O8</chemical-formula>
  <weight>264.19</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">2026-09-01T12:28:12Z</created-at>
  <updated-at type="dateTime">2026-09-01T12:28:12Z</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>C(CN(CC(=O)O)C(=O)O)CN(C(=O)O)C(=O)O</moldb-smiles>
  <moldb-formula>C8H12N2O8</moldb-formula>
  <moldb-inchi>InChI=1S/C8H12N2O8/c11-5(12)4-9(6(13)14)2-1-3-10(7(15)16)8(17)18/h1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)</moldb-inchi>
  <moldb-inchikey>FTDFSULOBTXNTE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">264.0593654</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.3</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>CHEM358901</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-[carboxy-[3-(dicarboxyamino)propyl]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>CED0313052</sync-id>
  <structure-inchikey>FTDFSULOBTXNTE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000040000000000000000000000000000004000000000000000000000001000004000000000000000000000000000000000000000000000000000004000000000020000000000000000000000000000000000000010000000000000000004000000000000000000000002000000000000000000000000000000000000000001000000000020000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000400004000000000000080000000000000000000000010400000001000004000000020000000000</structure-fingerprint>
  <structure-pattern-fingerprint>540000000102060080000000010820003000040000052000103000400200000c4002005000800001000001080080000004200081008c10010000443000a04000c4110400000004000090102000620100000004805000003240000422000009000c200002004002000000000054300000200080100105e0041118000002100002004400980c400208080002008808000811144016444014020004080000400080004300000010c00000000844016c211002c000008801080010000200084002000010008404400002008000000401028000000000020040000d000000080000000000081000000000020000000010200000100010804000000000008050400002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������`�������(�������(�������h��������(�������(�������h��������`�������(�������(�������(�������h��������(�������(�������h���������������������(��� �� ��(��	 �
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���� �(��� �� ��(��� B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:59:51Z</structure-indexed-at>
</compound>
