2,2-dimethylpropanoic acid; 2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 2,2-dimethylpropanoic acid; 2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)propanoic acid; 2,2-dimethylpropanoic acid CAS Name: 2,2-dimethylpropanoic acid; 2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2,2-dimethylpropanoic acid; 2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)propionic acid; 2,2-dimethylpropionic acid Formula: C16H23NO6 MolecularWeight: 325.35692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)OCC1=CC=CC=C1.CC(C)(C)C(=O)O

Isomeric SMILES

CC(C(=O)O)NC(=O)OCC1=CC=CC=C1.CC(C)(C)C(=O)O

InChI

InChI=1S/C11H13NO4.C5H10O2/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9;1-5(2,3)4(6)7/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14);1-3H3,(H,6,7)