2-(2,2-dimethylpropanoylamino)-4-methyl-pentanoic acid hydrate

Systemtic Name: 2-(2,2-dimethylpropanoylamino)-4-methyl-pentanoic acid hydrate Openeye Name: 2-(2,2-dimethylpropanoylamino)-4-methyl-pentanoic acid hydrate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4-methylpentanoic acid hydrate IUPAC Name: 2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid hydrate Traditional Name: 4-methyl-2-(pivaloylamino)valeric acid hydrate Formula: C11H23NO4 MolecularWeight: 233.30462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(C)(C)C.O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(C)(C)C.O

InChI

InChI=1S/C11H21NO3.H2O/c1-7(2)6-8(9(13)14)12-10(15)11(3,4)5;/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2