324636 <common-name>2-[4-[3-[(2s,6r)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-2-methylpropanoic acid</common-name> <description>2-[4-[3-[(2s,6r)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-2-methylpropanoic acid is a compound with the formula C20H31NO3. It has an average molecular weight of 333.50 g/mol.</description> <cas>121098-45-1</cas> <pubchem-id>71316735</pubchem-id> <chemical-formula>C20H31NO3</chemical-formula> <weight>333.5</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">2026-08-30T01:58:52Z</created-at> <updated-at type="dateTime">2026-08-30T01:58:52Z</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>CC1CN(CC(O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C(=O)O</moldb-smiles> <moldb-formula>C20H31NO3</moldb-formula> <moldb-inchi>InChI=1S/C20H31NO3/c1-14(11-21-12-15(2)24-16(3)13-21)10-17-6-8-18(9-7-17)20(4,5)19(22)23/h6-9,14-16H,10-13H2,1-5H3,(H,22,23)/t14?,15-,16+</moldb-inchi> <moldb-inchikey>OZMMLYFAEKBWEE-MQVJKMGUSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">333.2303939</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.6</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>CHEM320529</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>2-[4-[3-[(2s,6r)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-2-methylpropanoic 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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenylpropanes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0275290</sync-id> <structure-inchikey>OZMMLYFAEKBWEE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000001800002002000000000000000000000020000000000000000001000000200000000000000000004800000000000000000000000000000000000000000000000000100080004000020800000000000000000001000000400000000010000000004004000000000000000020100000000000000000000100000000040000000000000000000000001000000000000000000000000000000040000040000000000000000080000000040000020000000000010000000000000000000000000000000000000000000400000000000000000000220000000010000000000000000100040080000000460000000000000400000000000000000</structure-fingerprint> <structure-pattern-fingerprint>501000208112864088000b40012820000000140805052000003120408220084c44020050118000000100410800c08000042002a5408c32010020643900a04000c6110c001280040000901060006203000804858051211f3240040462400049000c2805270048020040000400d5b40000208280500105e0041118004002518002504400080ef0820808060240882c0008191c0812444014820004088000400080004310000090c00004000860017d25100ac00000894108401000021008c00212a01100a404900022018004001411028004050020020050000d0010000800030090004810088100000000000151122084001000308042000e0000150052000002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAGQAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAICBwAgAAAAAwYAYAAAAAICBgBgAAAAAwEIACAAAAACBgBgAAAA AQMGAGAAAAACAgYAYAAAAAMBBgBgAAAAAQMGAGAAAAACAgZAKAAAAAMEBkBo AAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGACAA AAAEBgBgAAAAAQMGAGAAAAABAwYAKAAAAAMECAAoAAAAAwIIAGgAAAADAQEL AAEAAQIAAgMAAwQABAUABQYABQcAAwgACAkACQoACQsACwwADA1oDA0OaAwO D2gMDxBoDBARaAwPEgASEwASFAASFQAVFigCFRcgBgEAEQxoDEICAAAABgEG BQQDAgYNDg8QEQwXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:28:45Z</structure-indexed-at> </compound>