3-Aminodihydro-2(3H)-furanone; (S)-form, N-(4-Hydroxy-E-cinnamoyl) 

AlkaPlorer ID: AK285010

Synonym: N-(p-Coumaroyl)homoserine lactone, pCA-HSL 

IUPAC Name: (E)-3-(4-hydroxyphenyl)-N-(2-oxooxolan-3-yl)prop-2-enamide

Structure

SMILES: O=C(/C=C/C1=CC=C(O)C=C1)NC1CCOC1=O

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InChI: InChI=1S/C13H13NO4/c15-10-4-1-9(2-5-10)3-6-12(16)14-11-7-8-18-13(11)17/h1-6,11,15H,7-8H2,(H,14,16)/b6-3+

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InChIKey: CCIXZFJYFQJTGK-ZZXKWVIFSA-N

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Reference

PubChem CID: 102453318

CAS: 1062150-24-6

Properties Information

Molecule Weight: 247.25

TPSA: 75.63

MolLogP: 0.8371

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information