<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">19717</id>
  <title nil="true"/>
  <common-name>4-Amino-3-hydroxybutyric acid</common-name>
  <description nil="true"/>
  <cas>924-49-2</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C4H9NO3</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">2016-05-22T05:23:30Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:54:13Z</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>DB15985</drugbank-id>
  <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>NCC(O)CC(O)=O</moldb-smiles>
  <moldb-formula>C4H9NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)</moldb-inchi>
  <moldb-inchikey>YQGDEPYYFWUPGO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">119.1192</moldb-average-mass>
  <moldb-mono-mass type="decimal">119.058243159</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-3.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>2064</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>CHEM018612</chemdb-id>
  <dsstox-id>DTXSID1045877</dsstox-id>
  <toxcast-id>45877</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00039462</susdat-id>
  <iupac>4-amino-3-hydroxybutanoic acid</iupac>
  <moldb-polar-surface-area>83.55</moldb-polar-surface-area>
  <moldb-refractivity>26.665300000000002</moldb-refractivity>
  <moldb-polarizability>11.255842195646839</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>4.099823572294161</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>9.601306975772337</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>-3.42</moldb-alogps-logp>
  <moldb-alogps-logs>0.58</moldb-alogps-logs>
  <moldb-alogps-solubility>4.53e+02 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" nil="true"/>
</compound>
