<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-25 07:39:56 UTC</creation_date>
  <update_date>2026-08-25 07:39:56 UTC</update_date>
  <accession/>
  <common_name>(2s)-2-amino-3-(4-nitrophenyl)propanoic acid</common_name>
  <class>SmallMolecule</class>
  <description>(2s)-2-amino-3-(4-nitrophenyl)propanoic acid is an organic compound with the chemical formula C9H10N2O4 and an average molecular weight of 210.19 g/mol. (2s)-2-amino-3-(4-nitrophenyl)propanoic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds.

This substance has been identified in or released from six recorded sources across various sectors. In the context of food, food processing, and cookware, it is associated with the preparation of wort, the preparation of malt, and fermentation processes for beer. Additionally, it is found in building and construction materials, specifically in stairs and ramps. The compound is also linked to electrical and electronic equipment, including television systems and electrically stimulated smoking devices.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C9H10N2O4</chemical_formula>
  <average_molecular_weight>210.19</average_molecular_weight>
  <monisotopic_moleculate_weight>210.0640568</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>949-99-5</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1</inchi>
  <inchikey>GTVVZTAFGPQSPC-QMMMGPOBSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-1.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>210.19</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>210.0640568</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C9H10N2O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GTVVZTAFGPQSPC-QMMMGPOBSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72268430d8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>13706</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
