2-methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid

C8H15NO4S — CID 59634214

IUPAC2-methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H15NO4S/c1-8(2,7(10)11)14(12,13)9-5-3-4-6-9/h3-6H2,1-2H3,(H,10,11)
InChIKeyKIJRZXAAFBGKHA-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.28
Rot. Bonds3

About 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid

2-methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid (PubChem CID 59634214) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid
PubChem CID59634214
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name2-methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H15NO4S/c1-8(2,7(10)11)14(12,13)9-5-3-4-6-9/h3-6H2,1-2H3,(H,10,11)
InChIKeyKIJRZXAAFBGKHA-UHFFFAOYSA-N
XLogP0.28
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Pyrrolidine-1-sulfonyl)butanoic acid
CID 28513434
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
CID 143964848
CID 143964848
CID 163547828
CID 163547828
2-[(3-Fluoropyrrolidin-1-yl)sulfonyl]propanoic acid
CID 164659340
3-[Butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
2-[Butyl(methyl)sulfamoyl]-2-methylpropanoic acid
CID 59634323
2-[Butyl(ethyl)sulfamoyl]propanoic acid
CID 61454716
2-Methyl-2-pyrrolidin-1-ylsulfanylpropanoic acid
CID 143803311

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid?
The IUPAC name of 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid (CID 59634214) is 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid.
What is the SMILES notation for 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid?
The canonical SMILES for 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid is CC(C)(C(=O)O)S(=O)(=O)N1CCCC1.
What is the InChIKey of 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid?
The InChIKey is KIJRZXAAFBGKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-8(2,7(10)11)14(12,13)9-5-3-4-6-9/h3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid?
2-methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid has a molecular weight of 221.28 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid is sourced from PubChem (CID 59634214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).