4-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]butanoic acid

Systemtic Name: 4-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]butanoic acid Openeye Name: 4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]butanoic acid CAS Name: 4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]butanoic acid IUPAC Name: 4-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]butanoic acid Traditional Name: 4-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]butyric acid Formula: C12H18N2O4 MolecularWeight: 254.28232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNCCCC(=O)O)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)CNCCCC(=O)O)CO

InChI

InChI=1S/C12H18N2O4/c1-8-12(18)10(9(7-15)5-14-8)6-13-4-2-3-11(16)17/h5,13,15,18H,2-4,6-7H2,1H3,(H,16,17)