2-[4-[1-oxidanylidene-1-(propylamino)propan-2-yl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[1-oxidanylidene-1-(propylamino)propan-2-yl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[1-methyl-2-oxo-2-(propylamino)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[1-oxo-1-(propylamino)propan-2-yl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[1-oxo-1-(propylamino)propan-2-yl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-keto-1-methyl-2-(propylamino)ethyl]piperazino]acetic acid Formula: C12H23N3O3 MolecularWeight: 257.32932

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)N1CCN(CC1)CC(=O)O

Isomeric SMILES

CCCNC(=O)C(C)N1CCN(CC1)CC(=O)O

InChI

InChI=1S/C12H23N3O3/c1-3-4-13-12(18)10(2)15-7-5-14(6-8-15)9-11(16)17/h10H,3-9H2,1-2H3,(H,13,18)(H,16,17)