2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid

C8H14FNO4S — CID 59267893

IUPAC2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C8H14FNO4S/c1-8(2,7(11)12)15(13,14)10-4-3-6(9)5-10/h6H,3-5H2,1-2H3,(H,11,12)/t6-/m1/s1
InChIKeyOLWPCCMXBWINQW-ZCFIWIBFSA-N
MW239.27 g/mol
LogP0.22
Rot. Bonds3

About 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid

2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid (PubChem CID 59267893) has the molecular formula C8H14FNO4S and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid
PubChem CID59267893
Molecular FormulaC8H14FNO4S
Molecular Weight239.27 g/mol
Exact Mass239.06
IUPAC Name2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C8H14FNO4S/c1-8(2,7(11)12)15(13,14)10-4-3-6(9)5-10/h6H,3-5H2,1-2H3,(H,11,12)/t6-/m1/s1
InChIKeyOLWPCCMXBWINQW-ZCFIWIBFSA-N
XLogP0.22
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate
CID 59267912
2-(3-Fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoic acid
CID 68782163
Ethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate
CID 68785208
2-[(3R)-3-fluoropyrrolidin-1-yl]sulfinyl-2-methylpropanoic acid
CID 70897107
2-(3-Fluoropyrrolidin-1-yl)sulfinyl-2-methylpropanoic acid
CID 77948586
2-(3-Fluoropyrrolidin-1-yl)sulfanyl-2-methylpropanoic acid
CID 143803297
CID 143964848
CID 143964848
CID 163547828
CID 163547828
2-(3,3-Difluoropyrrolidin-1-yl)sulfonylpropanoic acid
CID 127019817
2-[(3-Fluoropyrrolidin-1-yl)sulfonyl]propanoic acid
CID 164659340
2-Methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid
CID 59634214
2-[Butyl(methyl)sulfamoyl]-2-methylpropanoic acid
CID 59634323

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid?
The IUPAC name of 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid (CID 59267893) is 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid?
The canonical SMILES for 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid is CC(C)(C(=O)O)S(=O)(=O)N1CC[C@@H](F)C1.
What is the InChIKey of 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid?
The InChIKey is OLWPCCMXBWINQW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14FNO4S/c1-8(2,7(11)12)15(13,14)10-4-3-6(9)5-10/h6H,3-5H2,1-2H3,(H,11,12)/t6-/m1/s1.
What are the key properties of 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid?
2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoic acid is sourced from PubChem (CID 59267893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).