4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid

C10H19NO4S — CID 82182602

IUPAC4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)CCN1CCCC1
InChIInChI=1S/C10H19NO4S/c12-10(13)4-3-8-16(14,15)9-7-11-5-1-2-6-11/h1-9H2,(H,12,13)
InChIKeyRZYBBDTVNAYONC-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.36
Rot. Bonds7

About 4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid

4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid (PubChem CID 82182602) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid
PubChem CID82182602
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)CCN1CCCC1
InChIInChI=1S/C10H19NO4S/c12-10(13)4-3-8-16(14,15)9-7-11-5-1-2-6-11/h1-9H2,(H,12,13)
InChIKeyRZYBBDTVNAYONC-UHFFFAOYSA-N
XLogP0.36
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]propanoic acid
CID 82892158
1-(2-ethylsulfonylethyl)azocane
CID 167779827
hydrazine;3-piperidin-1-ylpropanoic acid
CID 161275938
4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid
CID 43501356
3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid
CID 58659564
5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 43579827
5-(2-carboxyethylsulfonyl)pentanoic acid
CID 117098076
6-(aziridin-1-yl)hexanoic acid
CID 141385441
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid
CID 43441535
4-piperidin-1-ylbutane-1-sulfonamide
CID 123535345
5-[2-(azepan-1-yl)ethylamino]-5-oxopentanoic acid
CID 53211701

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid?
The IUPAC name of 4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid (CID 82182602) is 4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid is O=C(O)CCCS(=O)(=O)CCN1CCCC1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid?
The InChIKey is RZYBBDTVNAYONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c12-10(13)4-3-8-16(14,15)9-7-11-5-1-2-6-11/h1-9H2,(H,12,13).
What are the key properties of 4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid?
4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid is sourced from PubChem (CID 82182602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).