283714 <common-name>Ethyl 2-[(2-cyanophenyl)carbamoylamino]acetate</common-name> <description>Ethyl 2-[(2-cyanophenyl)carbamoylamino]acetate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C12H13N3O3 and an average molecular weight of 247.25 g/mol.</description> <cas>78754-91-3</cas> <pubchem-id>4625036</pubchem-id> <chemical-formula>C12H13N3O3</chemical-formula> <weight>247.25</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">2026-08-27T19:17:04Z</created-at> <updated-at type="dateTime">2026-08-27T19:17:04Z</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>CCOC(=O)CNC(=O)NC1=CC=CC=C1C#N</moldb-smiles> <moldb-formula>C12H13N3O3</moldb-formula> <moldb-inchi>InChI=1S/C12H13N3O3/c1-2-18-11(16)8-14-12(17)15-10-6-4-3-5-9(10)7-13/h3-6H,2,8H2,1H3,(H2,14,15,17)</moldb-inchi> <moldb-inchikey>NDJAKNZTCHNTTL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">247.0956913</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.7</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>CHEM279607</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>Ethyl 2-[(2-cyanophenyl)carbamoylamino]acetate</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" nil="true"/> <sync-id>CED0235620</sync-id> <structure-inchikey>NDJAKNZTCHNTTL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000200000001000000000000400000000000000000000000200008000000000004000000000000000000000000000000000000000000000000000040000000000000000002000002000010000000000000000000000020001000000000000000080000000000000000000000040000000000000000200004200000080000000000080008000000000010000008002000000000000000000000000000000000008a000000000000080010000000000000000000000000000000000000000000000000000000000008000002000000200000000000000008000000000020040000000000400000000000000000400000000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEgAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAYAAAAAICBwBoAAAAAwIBBgAo AAAAAwQIACgAAAADAgcAaAAAAAMCAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGACgAAAACBAcAKAAAAAID CwABAAECAAIDIAMEKAIDBQAFBgAGByAHCCgCBwkgCQogCgtoDAsMaAwMDWgM DQ5oDA4PaAwPECAQESgDDwpoDEIBAAAABgoPDg0MCxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:58:12Z</structure-indexed-at> </compound>