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The molecular formula is C12H16N2O4.
The synonyms are: 2-Amino-3-bocamino-benzoic acid, 954238-49-4, 2-AMINO-3-BOCAMINO-BENZOICACID, and SCHEMBL14877164.
The molecular weight is 252.27 g/mol.
The IUPAC name is 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid.
The InChI is InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-8-6-4-5-7(9(8)13)10(15)16/h4-6H,13H2,1-3H3,(H,14,17)(H,15,16).
The InChIKey is GUOZBNNNPLTHOR-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)OC(=O)NC1=CC=CC(=C1N)C(=O)O.
The XLogP3-AA value is 1.9.
The hydrogen bond donor count is 3.
Yes, it is a canonicalized compound.
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