365577 <common-name>2-[(2,4-diamino-4-oxobutanoyl)amino]-3-methylbutanoic acid</common-name> <description>2-[(2,4-diamino-4-oxobutanoyl)amino]-3-methylbutanoic acid is a compound with the formula C9H17N3O4. It has an average molecular weight of 231.25 g/mol.</description> <cas nil="true"/> <pubchem-id>18218188</pubchem-id> <chemical-formula>C9H17N3O4</chemical-formula> <weight>231.25</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">2026-09-01T16:15:40Z</created-at> <updated-at type="dateTime">2026-09-01T16:15:40Z</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(C(=O)O)NC(=O)C(CC(=O)N)N</moldb-smiles> <moldb-formula>C9H17N3O4</moldb-formula> <moldb-inchi>InChI=1S/C9H17N3O4/c1-4(2)7(9(15)16)12-8(14)5(10)3-6(11)13/h4-5,7H,3,10H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)</moldb-inchi> <moldb-inchikey>KWBQPGIYEZKDEG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">231.121906</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-5.3</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>CHEM361470</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>2-[(2,4-diamino-4-oxobutanoyl)amino]-3-methylbutanoic 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" nil="true"/> <sync-id>CED0315527</sync-id> <structure-inchikey>KWBQPGIYEZKDEG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000400000800000000000000000000000000000000001000000000000000000000008004000000000000000000000000000010000000000000000400000000000000000020000000000000000000000000000000002000010000000000000000000020000000000000000000000000000000000000000040000000000000020000000080001000000000000000000000000000002000000000000100000000000000000000000000000000000000000000002000100000000000000000000000000000000000000000000000000000000480000000000000000840000000000020000400000020000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������(�������(�������h��������h��������(�������(�������`�������`�������(�������(�������h��������`��������������������(��� ����� � (�� � ������ (��� ��B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:38Z</structure-indexed-at> </compound>