136767 <common-name>Aspartyl-alanyl-diketopiperazine</common-name> <description>Aspartyl-alanyl-diketopiperazine is an organic compound with the formula C7H10N2O4 and an average molecular weight of 186.17 g/mol. Aspartyl-alanyl-diketopiperazine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This substance has been found in or released from one recorded source: electrical and electronic equipment, specifically video games.</description> <cas>110954-19-3</cas> <pubchem-id>9815453</pubchem-id> <chemical-formula>C7H10N2O4</chemical-formula> <weight>186.17</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">2026-04-14T20:01:02Z</created-at> <updated-at type="dateTime">2026-08-23T17:17:31Z</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>DB14940</drugbank-id> <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[C@@H]1NC(=O)[C@H](CC(O)=O)NC1=O</moldb-smiles> <moldb-formula>C7H10N2O4</moldb-formula> <moldb-inchi>InChI=1S/C7H10N2O4/c1-3-6(12)9-4(2-5(10)11)7(13)8-3/h3-4H,2H2,1H3,(H,8,13)(H,9,12)(H,10,11)/t3-,4-/m0/s1</moldb-inchi> <moldb-inchikey>RVLCUCVJZVRNDC-IMJSIDKUSA-N</moldb-inchikey> <moldb-average-mass type="decimal">186.167</moldb-average-mass> <moldb-mono-mass type="decimal">186.06405681</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.7</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>CHEM132660</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-[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]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">17</paper-count> <sync-id>CED0031008</sync-id> <structure-inchikey>RVLCUCVJZVRNDC-IMJSIDKUSA-N</structure-inchikey> <structure-fingerprint>100000000800004001000000000000000000000000000000000200000000000040020000000000000000004000000000010000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000010000000000000000000000000000000000000000000000020800100020000040000000000000200000000000000000000000000000000000000000000000040000000000000000080000000000000000000000000000000000010000000000000000000000000000000000000000400000000000402000000000000000000000000000000000000000000400000000000000000000008000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADQAAAIABBgBgAAAAAQMGIDQAAAAC AQQHAGgAAAADAgEGACgAAAADBAgAKAAAAAMCBiA0AAAAAgEEBgBgAAAAAgIG ACgAAAADBAgAaAAAAAMBAQgAKAAAAAMCBwBoAAAAAwIBBgAoAAAAAwQIACgA AAADAgsAAQABAgACAyADBCgCAwUABQYABgcABwggBwkoAgUKAAoLIAsMKAIL AQBCAQAAAAYBCwoFAwIXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:50:05Z</structure-indexed-at> </compound>