2-azanyl-3-methyl-pentanoic acid; methylbenzene

Systemtic Name: 2-azanyl-3-methyl-pentanoic acid; methylbenzene Openeye Name: 2-amino-3-methyl-pentanoic acid; toluene CAS Name: 2-amino-3-methylpentanoic acid; toluene IUPAC Name: 2-amino-3-methylpentanoic acid; toluene Traditional Name: 2-amino-3-methyl-valeric acid; toluene Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N.CC1=CC=CC=C1

Isomeric SMILES

CCC(C)C(C(=O)O)N.CC1=CC=CC=C1

InChI

InChI=1S/C7H8.C6H13NO2/c1-7-5-3-2-4-6-7;1-3-4(2)5(7)6(8)9/h2-6H,1H3;4-5H,3,7H2,1-2H3,(H,8,9)