3-[(3,5-dimethyl-2-oxidanyl-phenyl)methylamino]propanoic acid

Systemtic Name: 3-[(3,5-dimethyl-2-oxidanyl-phenyl)methylamino]propanoic acid Openeye Name: 3-[(2-hydroxy-3,5-dimethyl-phenyl)methylamino]propanoic acid CAS Name: 3-[(2-hydroxy-3,5-dimethylphenyl)methylamino]propanoic acid IUPAC Name: 3-[(2-hydroxy-3,5-dimethylphenyl)methylamino]propanoic acid Traditional Name: 3-[(2-hydroxy-3,5-dimethyl-benzyl)amino]propionic acid Formula: C12H17NO3 MolecularWeight: 223.26828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CNCCC(=O)O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CNCCC(=O)O)O)C

InChI

InChI=1S/C12H17NO3/c1-8-5-9(2)12(16)10(6-8)7-13-4-3-11(14)15/h5-6,13,16H,3-4,7H2,1-2H3,(H,14,15)