3-[4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-oxo-2-(sec-butylamino)ethyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-(butan-2-ylamino)-2-oxoethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-keto-2-(sec-butylamino)ethyl]piperazino]propionic acid Formula: C13H25N3O3 MolecularWeight: 271.3559

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1CCN(CC1)CCC(=O)O

Isomeric SMILES

CCC(C)NC(=O)CN1CCN(CC1)CCC(=O)O

InChI

InChI=1S/C13H25N3O3/c1-3-11(2)14-12(17)10-16-8-6-15(7-9-16)5-4-13(18)19/h11H,3-10H2,1-2H3,(H,14,17)(H,18,19)