Molecule ID: 114843

IUPAC Name: [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate

Description: The molecule is a carboxylic ester compound formed from condensation between retronecine and (2S,3R)-2,3-dihydroxy-2-isopropylbutanoic acid. It is a member of pyrrolizines, an azabicycloalkane and a carboxylic ester.

SMILES: CC(C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)[C@@H](C)O

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

InChI: InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13-,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 90.2 Ų
- LogP: -0.4