4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid

C10H20N2O4S — CID 55249778

IUPAC4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C10H20N2O4S/c13-10(14)2-1-7-17(15,16)12-6-4-9-3-5-11-8-9/h9,11-12H,1-8H2,(H,13,14)
InChIKeyUXYRAXTUSKPWDJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.23
Rot. Bonds8

About 4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid

4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid (PubChem CID 55249778) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid
PubChem CID55249778
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C10H20N2O4S/c13-10(14)2-1-7-17(15,16)12-6-4-9-3-5-11-8-9/h9,11-12H,1-8H2,(H,13,14)
InChIKeyUXYRAXTUSKPWDJ-UHFFFAOYSA-N
XLogP-0.23
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid?
The IUPAC name of 4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid (CID 55249778) is 4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid is O=C(O)CCCS(=O)(=O)NCCC1CCNC1.
What is the InChIKey of 4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid?
The InChIKey is UXYRAXTUSKPWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c13-10(14)2-1-7-17(15,16)12-6-4-9-3-5-11-8-9/h9,11-12H,1-8H2,(H,13,14).
What are the key properties of 4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid?
4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid has a molecular weight of 264.35 g/mol, XLogP of -0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid is sourced from PubChem (CID 55249778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).