methyl (2S)-2-[(3,3,5-trimethylcyclohexyl)amino]propanoate

Systemtic Name: methyl (2S)-2-[(3,3,5-trimethylcyclohexyl)amino]propanoate Openeye Name: methyl (2S)-2-[(3,3,5-trimethylcyclohexyl)amino]propanoate CAS Name: (2S)-2-[(3,3,5-trimethylcyclohexyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3,3,5-trimethylcyclohexyl)amino]propanoate Traditional Name: (2S)-2-[(3,3,5-trimethylcyclohexyl)amino]propionic acid methyl ester Formula: C13H25NO2 MolecularWeight: 227.3431

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC(C)C(=O)OC

Isomeric SMILES

CC1CC(CC(C1)(C)C)N[C@@H](C)C(=O)OC

InChI

InChI=1S/C13H25NO2/c1-9-6-11(8-13(3,4)7-9)14-10(2)12(15)16-5/h9-11,14H,6-8H2,1-5H3/t9?,10-,11?/m0/s1