287781 <common-name>3-[[(3s)-3-(acetamidomethyl)-1-hydroxy-3h-2,1-benzoxaborol-7-yl]oxy]propanoic acid</common-name> <description>3-[[(3s)-3-(acetamidomethyl)-1-hydroxy-3h-2,1-benzoxaborol-7-yl]oxy]propanoic acid belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. It has the formula C13H16BNO6 and an average molecular weight of 293.08 g/mol.</description> <cas>1554418-28-8</cas> <pubchem-id>118753287</pubchem-id> <chemical-formula>C13H16BNO6</chemical-formula> <weight>293.08</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">2026-08-28T00:21:42Z</created-at> <updated-at type="dateTime">2026-08-28T00:21:42Z</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>B1(C2=C(C=CC=C2OCCC(=O)O)C(O1)CNC(=O)C)O</moldb-smiles> <moldb-formula>C13H16BNO6</moldb-formula> <moldb-inchi>InChI=1S/C13H16BNO6/c1-8(16)15-7-11-9-3-2-4-10(13(9)14(19)21-11)20-6-5-12(17)18/h2-4,11,19H,5-7H2,1H3,(H,15,16)(H,17,18)/t11-/m1/s1</moldb-inchi> <moldb-inchikey>IECQEDZZJUTCHL-LLVKDONJSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">293.1070674</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM283674</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>3-[[(3s)-3-(acetamidomethyl)-1-hydroxy-3h-2,1-benzoxaborol-7-yl]oxy]propanoic 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 oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Ethers</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0239557</sync-id> <structure-inchikey>IECQEDZZJUTCHL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10040000000000000000800000000100001000000000000004000000000004010000000000000000000000000080100004000000000000000000000000008000000000200000000000000000000000000020800000000100000000100000000000000000010000000000000000000000000000004000000000000000000000501001000040000000800000000000020080000000000000000000000000000000011000100000080000000000080000002000000000080000000000080002000000000008000000000900000000000000000000000000200000400200000000000000000000000000000040000000000400000000000020000000000000200000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFgAAAIABBQAoAAAAAwMGQCgAAAAD BAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQI ACgAAAADAgYAYAAAAAICBgBgAAAAAgIGACgAAAADBAgAKAAAAAMCCABoAAAA AwEBBgBgAAAAAwEIACAAAAACBgBgAAAAAgIHAGgAAAADAgEGACgAAAADBAgA KAAAAAMCBgBgAAAAAQMIAGAAAAABAQsAAQABAmgMAgNoDAMEaAwEBWgMBQZo DAYHIAcIAAgJAAkKAAoLKAIKDCACDQANDgANDwAPEAAQESAREigCERMAABQA DgAABgFoDEICAAAABQABAg0OBgMEBQYBAhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:01:02Z</structure-indexed-at> </compound>