1-[(3-acetyl-2-hydroxy-4,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

AlkaPlorer ID: AK254733

Synonym: None

IUPAC Name: (2S)-1-[(3-acetyl-2-hydroxy-4,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Structure

SMILES: COC1=CC(OC)=C(C(C)=O)C(O)=C1CN1CCC[C@H]1C(=O)O

copy

InChI: InChI=1S/C16H21NO6/c1-9(18)14-13(23-3)7-12(22-2)10(15(14)19)8-17-6-4-5-11(17)16(20)21/h7,11,19H,4-6,8H2,1-3H3,(H,20,21)/t11-/m0/s1

copy

InChIKey: OJBWDODKCILBJF-NSHDSACASA-N

copy

Source

Properties Information

Molecule Weight: 323.345

TPSA: 96.3

MolLogP: 1.661

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information