[7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-2-yl] 3-methyl-2-oxidanyl-butanoate

Systemtic Name: [7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-2-yl] 3-methyl-2-oxidanyl-butanoate Openeye Name: [7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-2-yl] 2-hydroxy-3-methyl-butanoate CAS Name: 2-hydroxy-3-methylbutanoic acid [7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-2-yl] ester IUPAC Name: [7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-2-yl] 2-hydroxy-3-methylbutanoate Traditional Name: 2-hydroxy-3-methyl-butyric acid (7-methylol-2,3,5,8-tetrahydro-1H-pyrrolizin-2-yl) ester Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1CC2C(=CCN2C1)CO)O

Isomeric SMILES

CC(C)C(C(=O)OC1CC2C(=CCN2C1)CO)O

InChI

InChI=1S/C13H21NO4/c1-8(2)12(16)13(17)18-10-5-11-9(7-15)3-4-14(11)6-10/h3,8,10-12,15-16H,4-7H2,1-2H3