4-pyrrolidin-1-ylsulfonylbutanoic acid

C8H15NO4S — CID 28513434

IUPAC4-pyrrolidin-1-ylsulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H15NO4S/c10-8(11)4-3-7-14(12,13)9-5-1-2-6-9/h1-7H2,(H,10,11)
InChIKeyPGJFODMCZUGNGA-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.28
Rot. Bonds5

About 4-pyrrolidin-1-ylsulfonylbutanoic acid

4-pyrrolidin-1-ylsulfonylbutanoic acid (PubChem CID 28513434) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonylbutanoic acid.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonylbutanoic acid
PubChem CID28513434
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name4-pyrrolidin-1-ylsulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H15NO4S/c10-8(11)4-3-7-14(12,13)9-5-1-2-6-9/h1-7H2,(H,10,11)
InChIKeyPGJFODMCZUGNGA-UHFFFAOYSA-N
XLogP0.28
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-Methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylic acid
CID 121582537
2-(3,3-Difluoropyrrolidin-1-yl)sulfonylpropanoic acid
CID 127019817
2-[(3-Fluoropyrrolidin-1-yl)sulfonyl]propanoic acid
CID 164659340
2-Isothiazolidinebutanoic acid, 1,1-dioxide
CID 24688850
4-(Dipropylsulfamoyl)butanoic acid
CID 28513702
3-[Butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
Methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate
CID 43620009
2-Methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid
CID 59634214
2-[Butyl(ethyl)sulfamoyl]propanoic acid
CID 61454716
1-Propan-2-ylsulfonylpyrrolidine-3-carboxylic acid
CID 63032886
(3R)-1-propan-2-ylsulfonylpyrrolidine-3-carboxylic acid
CID 94917925
(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid
CID 170338191

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonylbutanoic acid?
The IUPAC name of 4-pyrrolidin-1-ylsulfonylbutanoic acid (CID 28513434) is 4-pyrrolidin-1-ylsulfonylbutanoic acid.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonylbutanoic acid?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonylbutanoic acid is O=C(O)CCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonylbutanoic acid?
The InChIKey is PGJFODMCZUGNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c10-8(11)4-3-7-14(12,13)9-5-1-2-6-9/h1-7H2,(H,10,11).
What are the key properties of 4-pyrrolidin-1-ylsulfonylbutanoic acid?
4-pyrrolidin-1-ylsulfonylbutanoic acid has a molecular weight of 221.28 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonylbutanoic acid is sourced from PubChem (CID 28513434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).