90730 <common-name>1-Benzyl 2-(tert-butyl) (S)-pyrrolidine-1,2-dicarboxylate</common-name> <description>1-Benzyl 2-(tert-butyl) (S)-pyrrolidine-1,2-dicarboxylate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C17H23NO4 and an average molecular weight of 305.37 g/mol.</description> <cas>16881-39-3</cas> <pubchem-id>7019799</pubchem-id> <chemical-formula>C17H23NO4</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">2026-04-05T00:27:25Z</created-at> <updated-at type="dateTime">2026-04-05T00:27:25Z</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(C)(C)OC(=O)C1CCCN1C(=O)OCC1=CC=CC=C1</moldb-smiles> <moldb-formula>C17H23NO4</moldb-formula> <moldb-inchi>InChI=1/C17H23NO4/c1-17(2,3)22-15(19)14-10-7-11-18(14)16(20)21-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3</moldb-inchi> <moldb-inchikey>OULMZZGGALAOLR-AWEZNQCLSA-N</moldb-inchikey> <moldb-average-mass type="decimal">305.374</moldb-average-mass> <moldb-mono-mass type="decimal">305.1627082</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>CHEM086623</chemdb-id> <dsstox-id>DTXSID30937552</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00051865</susdat-id> <iupac nil="true"/> <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">6</paper-count> <sync-id>CED0040101</sync-id> <structure-inchikey>OULMZZGGALAOLR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000202000000010000000000040000000010020000000000000000000000000002000000004800000000000020000000000000000000012000000000000000000000000000020000000000100000000000040000000000000010000000000000000000000000000020100000000000000000000100800000040600000800000000000000000000000001100000000000000000000000000000004400000000000080000000000000000000000008000000000000000000000020000000000000000000002000000000000000000000220000000000000000000000000100040800000002400000000002000000000000000000020</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAFwAAAIABBgBgAAAAAQMGACAAAAAE BgBgAAAAAQMGAGAAAAABAwgAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAYAAA AAMBBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBwAoAAAAAwMGACgAAAADBAgA KAAAAAMCCAAoAAAAAwIGAGAAAAACAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBCwABAAECAAEDAAEEAAQF IAUGKAIFBwAHCAAICQAJCgAKCwALDCAMDSgCDA4gDg8ADxAAEBFoDBESaAwS E2gMExRoDBQVaAwLBwAVEGgMQgIAAAAFBwgJCgsGERITFBUQFwQAAAAAAAAA Fg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:33:24Z</structure-indexed-at> </compound>