46524 <common-name>N-[(tert-butoxy)carbonyl]-L-valine</common-name> <description>N-[(tert-butoxy)carbonyl]-L-valine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This organic acid derivative has the chemical formula C10H19NO4 and an average molecular weight of 217.26 g/mol. It has been recorded in one source: drinking water and water supply. The recorded exposure route for this compound is oral.</description> <cas>13734-41-3</cas> <pubchem-id>270655</pubchem-id> <chemical-formula>C10H19NO4</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">2016-06-03T13:15:05Z</created-at> <updated-at type="dateTime">2026-03-26T21:31:49Z</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(N=C(O)OC(C)(C)C)C(O)=O</moldb-smiles> <moldb-formula>C10H19NO4</moldb-formula> <moldb-inchi>InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)</moldb-inchi> <moldb-inchikey>SZXBQTSZISFIAO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">217.265</moldb-average-mass> <moldb-mono-mass type="decimal">217.131408096</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>238053</chemspider-id> <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>CHEM045419</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00008176</stoff-ident-id> <susdat-id>NS00003669</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>79.12</moldb-polar-surface-area> <moldb-refractivity>55.1565</moldb-refractivity> <moldb-polarizability>22.765545651897828</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>3.8883192745768227</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-0.5795606312770952</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>1.54</moldb-alogps-logp> <moldb-alogps-logs>-2.14</moldb-alogps-logs> <moldb-alogps-solubility>1.58e+00 g/l</moldb-alogps-solubility> <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>CED0160684</sync-id> <structure-inchikey>SZXBQTSZISFIAO-UHFFFAOYSA-N</structure-inchikey> 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type="dateTime">2026-09-19T04:13:35Z</structure-indexed-at> </compound>