3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid hydrate

Systemtic Name: 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid hydrate Openeye Name: 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid hydrate CAS Name: 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid hydrate IUPAC Name: 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid hydrate Traditional Name: 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propionic acid hydrate Formula: C10H16N2O5 MolecularWeight: 244.24444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O4.H2O/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14;/h5,12H,1-4,11H2,(H,13,14)(H,15,16);1H2