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The molecular formula is C13H17NO4.
The IUPAC name is 2-[(4-methoxybenzoyl)amino]-3-methylbutanoic acid.
The InChI is InChI=1S/C13H17NO4/c1-8(2)11(13(16)17)14-12(15)9-4-6-10(18-3)7-5-9/h4-8,11H,1-3H3,(H,14,15)(H,16,17).
The InChIKey is GCNXSZNMYYPFGF-UHFFFAOYSA-N.
The canonical SMILES is CC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)OC.
The molecular weight is 251.28 g/mol.
The XLogP3-AA value is 2.1.
The compound has 2 hydrogen bond donor counts.
The compound has 4 hydrogen bond acceptor counts.
The compound has 5 rotatable bond counts.
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