2-(3-fluoropyrrolidin-1-yl)sulfonylpropanoic acid

C7H12FNO4S — CID 164659340

IUPAC2-(3-fluoropyrrolidin-1-yl)sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C7H12FNO4S/c1-5(7(10)11)14(12,13)9-3-2-6(8)4-9/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyKFKCZPRKEROGDK-UHFFFAOYSA-N
MW225.24 g/mol
LogP-0.17
Rot. Bonds3

About 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanoic acid

2-(3-fluoropyrrolidin-1-yl)sulfonylpropanoic acid (PubChem CID 164659340) has the molecular formula C7H12FNO4S and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-1-yl)sulfonylpropanoic acid
PubChem CID164659340
Molecular FormulaC7H12FNO4S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name2-(3-fluoropyrrolidin-1-yl)sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C7H12FNO4S/c1-5(7(10)11)14(12,13)9-3-2-6(8)4-9/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyKFKCZPRKEROGDK-UHFFFAOYSA-N
XLogP-0.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Pyrrolidine-1-sulfonyl)butanoic acid
CID 28513434
2-Methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylic acid
CID 121582537
2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid
CID 59267893
2-(3-Fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoic acid
CID 68782163
2-[(3R)-3-fluoropyrrolidin-1-yl]sulfinyl-2-methylpropanoic acid
CID 70897107
2-(3-Fluoropyrrolidin-1-yl)sulfinyl-2-methylpropanoic acid
CID 77948586
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947756
3-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951576
3-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154
2-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61458199
2-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61606015
3-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61606152

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanoic acid?
The IUPAC name of 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanoic acid (CID 164659340) is 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanoic acid.
What is the SMILES notation for 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanoic acid?
The canonical SMILES for 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanoic acid is CC(C(=O)O)S(=O)(=O)N1CCC(F)C1.
What is the InChIKey of 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanoic acid?
The InChIKey is KFKCZPRKEROGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO4S/c1-5(7(10)11)14(12,13)9-3-2-6(8)4-9/h5-6H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanoic acid?
2-(3-fluoropyrrolidin-1-yl)sulfonylpropanoic acid has a molecular weight of 225.24 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanoic acid is sourced from PubChem (CID 164659340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).