4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid

C19H20FNO3 — CID 19079853

IUPAC4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2C(C(=O)O)C(c3ccc(F)cc3)CN2C)cc1
InChIInChI=1S/C19H20FNO3/c1-21-11-16(12-3-7-14(20)8-4-12)17(19(22)23)18(21)13-5-9-15(24-2)10-6-13/h3-10,16-18H,11H2,1-2H3,(H,22,23)
InChIKeyKQFGVCNVWUEZLF-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.31
Rot. Bonds4

About 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid

4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid (PubChem CID 19079853) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
PubChem CID19079853
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2C(C(=O)O)C(c3ccc(F)cc3)CN2C)cc1
InChIInChI=1S/C19H20FNO3/c1-21-11-16(12-3-7-14(20)8-4-12)17(19(22)23)18(21)13-5-9-15(24-2)10-6-13/h3-10,16-18H,11H2,1-2H3,(H,22,23)
InChIKeyKQFGVCNVWUEZLF-UHFFFAOYSA-N
XLogP3.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-difluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 18417452
2,4-bis(3,4-difluorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 22322837
1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 57363347
3-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-oxothiomorpholine-2-carboxylic acid
CID 175653511
1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320532
(3S,4R)-1-[2-(4-fluorophenyl)acetyl]-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 16668462
2,3-dihydroxybutanedioic acid;(3S,4R)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidine
CID 70401571
2,3-dihydroxybutanedioic acid;4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidine
CID 23319406
(2S,3S)-2-tert-butyl-3-carboxy-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 53302207
(2S,3S,4R)-2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 102061884
[(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol
CID 11220784
1-(2-aminoethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 22322850

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid (CID 19079853) is 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid is COc1ccc(C2C(C(=O)O)C(c3ccc(F)cc3)CN2C)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid?
The InChIKey is KQFGVCNVWUEZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-21-11-16(12-3-7-14(20)8-4-12)17(19(22)23)18(21)13-5-9-15(24-2)10-6-13/h3-10,16-18H,11H2,1-2H3,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid?
4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid has a molecular weight of 329.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 19079853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).