Molecule ID: 104904

IUPAC Name: methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Description: The molecule is the O-debenzoyl analogue of cocaine. It has a role as a central nervous system depressant, a peripheral nervous system drug, an analgesic, a metabolite, an opioid analgesic and a mouse metabolite. It is a tropane alkaloid, a methyl ester and a tertiary amino compound. It derives from an ecgonine. It is a conjugate base of an ecgoninium methyl ester(1+).

SMILES: COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C

SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][C@H1][C][C][C@@H1][Branch1][=Branch1][C][C@@H1][Ring1][#Branch1][O][N][Ring1][Branch2][C]

InChI: InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1

Molecular Properties:
- Polar Surface Area: 49.8 Ų
- LogP: 0.6