2-[3-azanyl-5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]propanoic acid

Systemtic Name: 2-[3-azanyl-5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]propanoic acid Openeye Name: 2-[3-amino-5-(2-hydroxy-1-methyl-2-oxo-ethyl)phenyl]propanoic acid CAS Name: 2-[3-amino-5-(1-hydroxy-1-oxopropan-2-yl)phenyl]propanoic acid IUPAC Name: 2-[3-amino-5-(1-hydroxy-1-oxopropan-2-yl)phenyl]propanoic acid Traditional Name: 2-[3-amino-5-(2-hydroxy-2-keto-1-methyl-ethyl)phenyl]propionic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1)N)C(C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC(=CC(=C1)N)C(C)C(=O)O)C(=O)O

InChI

InChI=1S/C12H15NO4/c1-6(11(14)15)8-3-9(5-10(13)4-8)7(2)12(16)17/h3-7H,13H2,1-2H3,(H,14,15)(H,16,17)