<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">68481</id>
  <title nil="true"/>
  <common-name>Benzyloxycarbonylserine</common-name>
  <description>Benzyloxycarbonylserine is an organic compound with the formula C11H13N1O5 and an average molecular weight of 239.23 g/mol. Benzyloxycarbonylserine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This substance is found in or released from one recorded source: electrical and electronic equipment, specifically amplifiers.</description>
  <cas>1145-80-8</cas>
  <pubchem-id>100310</pubchem-id>
  <chemical-formula>C11H13N1O5</chemical-formula>
  <weight>239.22</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">2026-04-03T12:33:37Z</created-at>
  <updated-at type="dateTime">2026-08-18T09:51:12Z</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>OC[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O</moldb-smiles>
  <moldb-formula>C11H13N1O5</moldb-formula>
  <moldb-inchi>InChI=1S/C11H13NO5/c13-6-9(10(14)15)12-11(16)17-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)/t9-/m1/s1</moldb-inchi>
  <moldb-inchikey>GNIDSOFZAKMQAO-VIFPVBQESA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">239.227</moldb-average-mass>
  <moldb-mono-mass type="decimal">239.079373</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>90648</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>CHEM064374</chemdb-id>
  <dsstox-id>DTXSID40150750</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00023715</susdat-id>
  <iupac>(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)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 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>CED0132213</sync-id>
  <structure-inchikey>GNIDSOFZAKMQAO-VIFPVBQESA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000400000011000000000000000002000000000000000000000000000000000000000004000000000000000000000020000000000000000000000000000000000000000020000000000100000000008040000000000000010000000000000000000000004000000000000000000000000000000000000000200000800000000000000080000000000100000000000000020000000000000000000000000000080000000000000000000000080000000000000000000000000000000000008000000000000000000000000000000222000000000000000000000800000040000000002400000000000000400000000000000020</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������ 4��������h��������(�������(�������(�������`������@(������@h�������@h�������@h�������@h�������@h��������(�������h��������(����������������� ��(��� �������	h�	
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	����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:18:22Z</structure-indexed-at>
</compound>
