3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid

C13H15FN2O5S — CID 168716634

IUPAC3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
SMILESNS(=O)(=O)C1CC(=O)N(C(CC(=O)O)c2ccccc2F)C1
InChIInChI=1S/C13H15FN2O5S/c14-10-4-2-1-3-9(10)11(6-13(18)19)16-7-8(5-12(16)17)22(15,20)21/h1-4,8,11H,5-7H2,(H,18,19)(H2,15,20,21)
InChIKeyUUQWKBOVDKSGJP-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.23
Rot. Bonds5

About 3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid

3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid (PubChem CID 168716634) has the molecular formula C13H15FN2O5S and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
PubChem CID168716634
Molecular FormulaC13H15FN2O5S
Molecular Weight330.34 g/mol
Exact Mass330.07
IUPAC Name3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
SMILESNS(=O)(=O)C1CC(=O)N(C(CC(=O)O)c2ccccc2F)C1
InChIInChI=1S/C13H15FN2O5S/c14-10-4-2-1-3-9(10)11(6-13(18)19)16-7-8(5-12(16)17)22(15,20)21/h1-4,8,11H,5-7H2,(H,18,19)(H2,15,20,21)
InChIKeyUUQWKBOVDKSGJP-UHFFFAOYSA-N
XLogP0.23
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716580
3-(2-chlorophenyl)-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)propanoic acid
CID 168707797
3-(4-chlorophenyl)-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168713303
1-benzhydryl-5-oxopyrrolidine-3-sulfonamide
CID 168718070
2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716614
1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716672
2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713294
1-(2-carboxy-1-phenylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690290
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716400
(2R)-3-(2-fluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168713423
3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716429
(2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716442

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid (CID 168716634) is 3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid is NS(=O)(=O)C1CC(=O)N(C(CC(=O)O)c2ccccc2F)C1.
What is the InChIKey of 3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid?
The InChIKey is UUQWKBOVDKSGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O5S/c14-10-4-2-1-3-9(10)11(6-13(18)19)16-7-8(5-12(16)17)22(15,20)21/h1-4,8,11H,5-7H2,(H,18,19)(H2,15,20,21).
What are the key properties of 3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid?
3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid has a molecular weight of 330.34 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 168716634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).