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The molecular formula is C16H23NO4.
The molecular weight is 293.36 g/mol.
The IUPAC name is 4-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid.
The InChI is InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17(11-7-10-14(18)19)12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,18,19).
The InChIKey is PCKHPPARUKMUTN-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)OC(=O)N(CCCC(=O)O)CC1=CC=CC=C1.
The CAS number is 213772-01-1.
The XLogP3-AA value is 2.5.
The compound has 1 hydrogen bond donor count.
The compound has 8 rotatable bond count.
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