3-methyl-1-(2-sulfamoylethylcarbamoyl)pyrrolidine-3-carboxylic acid

C9H17N3O5S — CID 55166345

IUPAC3-methyl-1-(2-sulfamoylethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCS(N)(=O)=O)C1
InChIInChI=1S/C9H17N3O5S/c1-9(7(13)14)2-4-12(6-9)8(15)11-3-5-18(10,16)17/h2-6H2,1H3,(H,11,15)(H,13,14)(H2,10,16,17)
InChIKeyHJIRDFPRGDDDMC-UHFFFAOYSA-N
MW279.32 g/mol
LogP-1.22
Rot. Bonds4

About 3-methyl-1-(2-sulfamoylethylcarbamoyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(2-sulfamoylethylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 55166345) has the molecular formula C9H17N3O5S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-methyl-1-(2-sulfamoylethylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-sulfamoylethylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID55166345
Molecular FormulaC9H17N3O5S
Molecular Weight279.32 g/mol
Exact Mass279.09
IUPAC Name3-methyl-1-(2-sulfamoylethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCS(N)(=O)=O)C1
InChIInChI=1S/C9H17N3O5S/c1-9(7(13)14)2-4-12(6-9)8(15)11-3-5-18(10,16)17/h2-6H2,1H3,(H,11,15)(H,13,14)(H2,10,16,17)
InChIKeyHJIRDFPRGDDDMC-UHFFFAOYSA-N
XLogP-1.22
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-sulfamoylethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-sulfamoylethylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 55166345) is 3-methyl-1-(2-sulfamoylethylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-sulfamoylethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-sulfamoylethylcarbamoyl)pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCCS(N)(=O)=O)C1.
What is the InChIKey of 3-methyl-1-(2-sulfamoylethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HJIRDFPRGDDDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O5S/c1-9(7(13)14)2-4-12(6-9)8(15)11-3-5-18(10,16)17/h2-6H2,1H3,(H,11,15)(H,13,14)(H2,10,16,17).
What are the key properties of 3-methyl-1-(2-sulfamoylethylcarbamoyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(2-sulfamoylethylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 279.32 g/mol, XLogP of -1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-sulfamoylethylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55166345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).