(2R)-2-azaniumyl-2-[[3,4-bis(oxidanyl)phenyl]methyl]butanoate

Systemtic Name: (2R)-2-azaniumyl-2-[[3,4-bis(oxidanyl)phenyl]methyl]butanoate Openeye Name: (2R)-2-azaniumyl-2-[(3,4-dihydroxyphenyl)methyl]butanoate CAS Name: (2R)-2-ammonio-2-[(3,4-dihydroxyphenyl)methyl]butanoate IUPAC Name: (2R)-2-azaniumyl-2-[(3,4-dihydroxyphenyl)methyl]butanoate Traditional Name: (2R)-2-ammonio-2-protocatechuyl-butyrate Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=C(C=C1)O)O)(C(=O)[O-])[NH3+]

Isomeric SMILES

CC[C@@](CC1=CC(=C(C=C1)O)O)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H15NO4/c1-2-11(12,10(15)16)6-7-3-4-8(13)9(14)5-7/h3-5,13-14H,2,6,12H2,1H3,(H,15,16)/t11-/m1/s1