<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365388</id>
  <title nil="true"/>
  <common-name>Methyl (1s,6r)-2-azabicyclo[4.2.0]octane-1-carboxylate</common-name>
  <description>Methyl (1s,6r)-2-azabicyclo[4.2.0]octane-1-carboxylate is a compound with the formula C9H15NO2. It has an average molecular weight of 169.22 g/mol.</description>
  <cas>2307782-88-1</cas>
  <pubchem-id>137964503</pubchem-id>
  <chemical-formula>C9H15NO2</chemical-formula>
  <weight>169.22</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">2026-09-01T15:56:45Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:56:45Z</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>COC(=O)C12CCC1CCCN2</moldb-smiles>
  <moldb-formula>C9H15NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C9H15NO2/c1-12-8(11)9-5-4-7(9)3-2-6-10-9/h7,10H,2-6H2,1H3/t7-,9+/m1/s1</moldb-inchi>
  <moldb-inchikey>CHXXHXOYFUVPOG-APPZFPTMSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">169.1102787</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.8</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>CHEM361281</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>Methyl (1s,6r)-2-azabicyclo[4.2.0]octane-1-carboxylate</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315344</sync-id>
  <structure-inchikey>CHXXHXOYFUVPOG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000001000000000000000000000000000000000000000000000080000000000000000000000000000020000000000100000000000200000000000000010000004040000000000000000000020000000000000000000000100800000048000000000000200200000080200000000000000000000000200000001000000004000000000000000000000020000000000040000000000000000000000000000000000000000000000000000000200000000000000000000000010000000000000000000000000000000400000000000000020000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���`�������(�������(�������(������� ������`�������`�������`�������`�������`�������`�������`����������� ��(�����������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T06:01:28Z</structure-indexed-at>
</compound>
