281853 <common-name>5-[2-(1-methylimidazol-4-yl)ethylamino]-5-oxopentanoic acid</common-name> <description>5-[2-(1-methylimidazol-4-yl)ethylamino]-5-oxopentanoic acid belongs to the imidazoles, a subclass of azoles within the organic compounds. It is classified as an organoheterocyclic compound with the formula C11H17N3O3 and an average molecular weight of 239.27 g/mol.</description> <cas>1187618-19-4</cas> <pubchem-id>44234804</pubchem-id> <chemical-formula>C11H17N3O3</chemical-formula> <weight>239.27</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">2026-08-27T17:16:27Z</created-at> <updated-at type="dateTime">2026-08-27T17:16:27Z</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>CN1C=C(N=C1)CCNC(=O)CCCC(=O)O</moldb-smiles> <moldb-formula>C11H17N3O3</moldb-formula> <moldb-inchi>InChI=1S/C11H17N3O3/c1-14-7-9(13-8-14)5-6-12-10(15)3-2-4-11(16)17/h7-8H,2-6H2,1H3,(H,12,15)(H,16,17)</moldb-inchi> <moldb-inchikey>XAYAYPQLEGFLIE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">239.1269914</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.6</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>CHEM277746</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>5-[2-(1-methylimidazol-4-yl)ethylamino]-5-oxopentanoic 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>Azoles</klass> <subklass>Imidazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0233806</sync-id> <structure-inchikey>XAYAYPQLEGFLIE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000800004010000000000000000000004000000000000000000000000000000000000000000002004000000000000000000800000000000000000000000000000000400000000000020001200000000000008000000000000000000010000080000000000000000000000000900020000000000000000000000000040000000000002000000004080000000000000000000001000000000010000000000000000000000080000000000010000080000000000000080000000000008000004000000000000000000000000000000020000400000000000000000000000000000000042000000010600000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>40000020010206001800000001082000009000000005200000202040020001045002204000800000000001000480000004200080808c10010200443000a00000c4110400001000800080102000620100000000104221003a40000422000009000c20040200400200204000105430020020008030010d600431180a2002100002004c001804400008080012008c08000811140012444014020004080000000024044300000000c00000000940056c211002c000000801080018000000004002000000100404000a02008000040001028000000800024040200900000408000100000008000009000400000010c008200000100010804000080000008070000006</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEQAAAIABBgBgAAAAAQMHQCgAAAAD AwZAaAAAAAMDAQZAKAAAAAMEB0AoAAAAAwMGQGgAAAADAwEGAGAAAAACAgYA YAAAAAICBwBoAAAAAwIBBgAoAAAAAwQIACgAAAADAgYAYAAAAAICBgBgAAAA AgIGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIIAGgAAAADAQELAAEAAQJoDAID aAwDBGgMBAVoDAMGAAYHAAcIAAgJIAkKKAIJCwALDAAMDQANDgAODygCDhAg BQFoDEIBAAAABQECAwQFFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:56:47Z</structure-indexed-at> </compound>