3097-B1

AlkaPlorer ID: AK000364

Synonym: None

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

Structure

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

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InChI: InChI=1S/C15H21NO4/c1-3-14(18)20-15-12(16-9-13(15)17)8-10-4-6-11(19-2)7-5-10/h4-7,12-13,15-17H,3,8-9H2,1-2H3/t12-,13-,15-/m0/s1

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InChIKey: HOTSKSXDTYBKBM-YDHLFZDLSA-N

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Source

Properties Information

Molecule Weight: 279.336

TPSA: 67.79

MolLogP: 0.8921999999999997

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information