Molecule ID: 449356

IUPAC Name: (2S,3S,4R,5R)-2-(4-aminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

Description: The molecule is a dihydroxypyrrolidine that consists of 5-hydroxymethylpyrrolidine-3,4-diol bearing a 4-aminophenyl substituent at position 2 (the 2S,3S,4R,5R-diastereomer). It derives from an aniline.

SMILES: Nc1ccc([C@@H]2N[C@H](CO)[C@@H](O)[C@H]2O)cc1

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

InChI: InChI=1S/C11H16N2O3/c12-7-3-1-6(2-4-7)9-11(16)10(15)8(5-14)13-9/h1-4,8-11,13-16H,5,12H2/t8-,9+,10-,11+/m1/s1

Molecular Properties:
- Polar Surface Area: 98.7 Ų
- LogP: -0.9