296446 <common-name>2-acetamido-2-[(5-methoxy-1h-indol-3-yl)methyl]propanedioic acid</common-name> <description>2-acetamido-2-[(5-methoxy-1h-indol-3-yl)methyl]propanedioic acid belongs to the tryptamines and derivatives, a subclass of indoles and derivatives within the organic compounds. This organoheterocyclic compound has the formula C15H16N2O6 and an average molecular weight of 320.30 g/mol.</description> <cas>54744-68-2</cas> <pubchem-id>3041704</pubchem-id> <chemical-formula>C15H16N2O6</chemical-formula> <weight>320.3</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">2026-08-28T12:35:48Z</created-at> <updated-at type="dateTime">2026-08-28T12:35:48Z</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(CC1=CNC2=C1C=C(C=C2)OC)(C(=O)O)C(=O)O</moldb-smiles> <moldb-formula>C15H16N2O6</moldb-formula> <moldb-inchi>InChI=1S/C15H16N2O6/c1-8(18)17-15(13(19)20,14(21)22)6-9-7-16-12-4-3-10(23-2)5-11(9)12/h3-5,7,16H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)</moldb-inchi> <moldb-inchikey>LFAGYUMIXBGLKO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">320.1008362</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>CHEM292339</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-2-[(5-methoxy-1h-indol-3-yl)methyl]propanedioic 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>Organoheterocyclic compounds</superklass> <klass>Indoles and derivatives</klass> <subklass>Tryptamines and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0247847</sync-id> <structure-inchikey>LFAGYUMIXBGLKO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000800080002100000000000000000000000000000004000000000000000000208000002008000004000000000000000000000000000000000000000000000000000000000000000020000000000100000200000100000000040000030000000040000000100080000000000000000000000000000000400000000040000008000000200000000080000000000000000000000000000000200000002000000004040000080000000000000000000000008000000000000080000000000000000000000000000000000000000000000000000280000000000000000000000000000041000000000400005000000008400000000080000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGAAAAIABBgBgAAAAAQMGACgAAAAD BAgAKAAAAAMCBwBoAAAAAwIBBgAgAAAABAYAYAAAAAICBkAoAAAAAwQGQGgA AAADAwEHQDgAAAADAQMGQCgAAAADBAZAKAAAAAMEBkBoAAAAAwMBBkAoAAAA AwQGQGgAAAADAwEGQGgAAAADAwEIACgAAAADAgYAYAAAAAEDBgAoAAAAAwQI ACgAAAADAggAaAAAAAMBAQYAKAAAAAMECAAoAAAAAwIIAGgAAAADAQELAAEA AQIoAgEDIAMEAAQFAAUGAAYHaAwHCGgMCAloDAkKaAwKC2gMCwxoDAwNaAwN DmgMDA8gDxAABBEAERIoAhETIAQUABQVKAIUFiAKBmgMDgloDEICAAAABQYH CAkKBgsMDQ4JChcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:07:40Z</structure-indexed-at> </compound>