(E)-3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]-2-propenoic acid IUPAC Name: (E)-3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]acrylic acid Formula: C10H12N2O4 MolecularWeight: 224.21328

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(N1)CN)CC(=O)O)C=CC(=O)O

Isomeric SMILES

C1=C(C(=C(N1)CN)CC(=O)O)/C=C/C(=O)O

InChI

InChI=1S/C10H12N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h1-2,5,12H,3-4,11H2,(H,13,14)(H,15,16)/b2-1+