5-oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid

C7H12N2O5S — CID 43551558

IUPAC5-oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid
SMILESNS(=O)(=O)CCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C7H12N2O5S/c8-15(13,14)2-1-9-4-5(7(11)12)3-6(9)10/h5H,1-4H2,(H,11,12)(H2,8,13,14)
InChIKeyJQFRUIZXDNFFAB-UHFFFAOYSA-N
MW236.25 g/mol
LogP-1.79
Rot. Bonds4

About 5-oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid

5-oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid (PubChem CID 43551558) has the molecular formula C7H12N2O5S and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid
PubChem CID43551558
Molecular FormulaC7H12N2O5S
Molecular Weight236.25 g/mol
Exact Mass236.05
IUPAC Name5-oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid
SMILESNS(=O)(=O)CCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C7H12N2O5S/c8-15(13,14)2-1-9-4-5(7(11)12)3-6(9)10/h5H,1-4H2,(H,11,12)(H2,8,13,14)
InChIKeyJQFRUIZXDNFFAB-UHFFFAOYSA-N
XLogP-1.79
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid (CID 43551558) is 5-oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid is NS(=O)(=O)CCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 5-oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is JQFRUIZXDNFFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5S/c8-15(13,14)2-1-9-4-5(7(11)12)3-6(9)10/h5H,1-4H2,(H,11,12)(H2,8,13,14).
What are the key properties of 5-oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 236.25 g/mol, XLogP of -1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 43551558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).