3097-C2

AlkaPlorer ID: AK000472

Synonym: None

IUPAC Name: [(2S,3S,4S)-4-hydroxy-2-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl] acetate

Structure

SMILES: CC(=O)O[C@H]1[C@H](CC2=CC=C(O)C=C2)NC[C@@H]1O

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InChI: InChI=1S/C13H17NO4/c1-8(15)18-13-11(14-7-12(13)17)6-9-2-4-10(16)5-3-9/h2-5,11-14,16-17H,6-7H2,1H3/t11-,12-,13-/m0/s1

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InChIKey: YEXDUWHXOFKCLS-AVGNSLFASA-N

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Source

Properties Information

Molecule Weight: 251.282

TPSA: 78.79

MolLogP: 0.1990999999999997

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information