104118 <common-name>5-Amino-2-[(1-propyl-1h-imidazol-4-yl)methyl]pentanoic acid</common-name> <description>5-Amino-2-[(1-propyl-1h-imidazol-4-yl)methyl]pentanoic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This organic acid has the chemical formula C12H21N3O2 and an average molecular weight of 239.32 g/mol. Regarding its biological activity, it is recorded as an inhibitor of the protein target Carboxypeptidase B2 (CPB2).</description> <cas>400044-47-5</cas> <pubchem-id>11241908</pubchem-id> <chemical-formula>C12H21N3O2</chemical-formula> <weight nil="true"/> <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">2026-04-05T11:25:58Z</created-at> <updated-at type="dateTime">2026-05-14T19:17:16Z</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>DB12099</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>CCCN1C=NC(C[C@H](CCCN)C(O)=O)=C1</moldb-smiles> <moldb-formula>C12H21N3O2</moldb-formula> <moldb-inchi>InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1</moldb-inchi> <moldb-inchikey>OTDGPKRCQXSTPV-JTQLQIEISA-N</moldb-inchikey> <moldb-average-mass type="decimal">239.319</moldb-average-mass> <moldb-mono-mass type="decimal">239.1633769</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.5</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>CHEM100011</chemdb-id> <dsstox-id>DTXSID70193074</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00068777</susdat-id> <iupac>(2S)-5-amino-2-[(1-propyl-1H-imidazol-4-yl)methyl]pentanoic 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">0</paper-count> <sync-id>CED0157808</sync-id> <structure-inchikey>OTDGPKRCQXSTPV-JTQLQIEISA-N</structure-inchikey> <structure-fingerprint>40000800000000000001800000010000000000000000000000000000000000000400000002000000000000000000002004800000000000000000800000000000000000000000000000000000000000000020000000000000000008001000000004000020010008000000000000000000000000000900000000000400000000000000000040000008000000000000004000001004000000000000000000000000000000000000000000000004080000000000000000080000000000000004000000000000000000000100000000000000000000000000000000000000000000000000000000008800000044000000010400000004020000000000000000800000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICB0AoAAAAAwMGQGgAAAADAwEHQCgAAAADAwZAKAAAAAMEBgBg AAAAAgIGIDQAAAACAQQGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIHAGAAAAAB AgYAKAAAAAMECABoAAAAAwEBCAAoAAAAAwIGQGgAAAADAwELAAEAAQIAAgMA AwRoDAQFaAwFBmgMBgcABwgACAkACQoACgsACwwACA0ADQ4gDQ8oAgYQaAwQ A2gMQgEAAAAFAwQFBhAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:41:23Z</structure-indexed-at> </compound>