2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid

C13H14FNO6S — CID 168713247

IUPAC2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N2CC(S(=O)(=O)F)CC2=O)cc1
InChIInChI=1S/C13H14FNO6S/c1-21-9-4-2-8(3-5-9)12(13(17)18)15-7-10(6-11(15)16)22(14,19)20/h2-5,10,12H,6-7H2,1H3,(H,17,18)
InChIKeyHMRGMNSUIJTJHU-UHFFFAOYSA-N
MW331.32 g/mol
LogP0.72
Rot. Bonds5

About 2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid

2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid (PubChem CID 168713247) has the molecular formula C13H14FNO6S and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
PubChem CID168713247
Molecular FormulaC13H14FNO6S
Molecular Weight331.32 g/mol
Exact Mass331.05
IUPAC Name2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N2CC(S(=O)(=O)F)CC2=O)cc1
InChIInChI=1S/C13H14FNO6S/c1-21-9-4-2-8(3-5-9)12(13(17)18)15-7-10(6-11(15)16)22(14,19)20/h2-5,10,12H,6-7H2,1H3,(H,17,18)
InChIKeyHMRGMNSUIJTJHU-UHFFFAOYSA-N
XLogP0.72
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713285
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713263
2-(4-amino-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168698845
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168683655
2-(3-bromophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713291
2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716614
2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716602
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716591
(2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid
CID 168713040
2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713294
1-[1-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713150
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168713114

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid?
The IUPAC name of 2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid (CID 168713247) is 2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid is COc1ccc(C(C(=O)O)N2CC(S(=O)(=O)F)CC2=O)cc1.
What is the InChIKey of 2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid?
The InChIKey is HMRGMNSUIJTJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO6S/c1-21-9-4-2-8(3-5-9)12(13(17)18)15-7-10(6-11(15)16)22(14,19)20/h2-5,10,12H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid?
2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid has a molecular weight of 331.32 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 168713247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).