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The molecular formula is C14H17BrNO4.
The molecular weight is 343.19 g/mol.
The IUPAC name is (2R)-3-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
The InChI is InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/p-1/t11-/m1/s1.
The InChIKey is ULNOXUAEIPUJMK-LLVKDONJSA-M.
The canonical SMILES is CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)Br)C(=O)[O-].
The isomeric SMILES is CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)Br)C(=O)[O-].
The XLogP3 value is 3.1.
There is 1 hydrogen bond donor count.
There are 4 hydrogen bond acceptor counts.
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