1-(2-methylbutan-2-ylsulfamoyl)pyrrolidine-2-carboxylic acid

C10H20N2O4S — CID 18613582

IUPAC1-(2-methylbutan-2-ylsulfamoyl)pyrrolidine-2-carboxylic acid
SMILESCCC(C)(C)NS(=O)(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-4-10(2,3)11-17(15,16)12-7-5-6-8(12)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)
InChIKeyPNCCDYLOFLALRD-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.56
Rot. Bonds5

About 1-(2-methylbutan-2-ylsulfamoyl)pyrrolidine-2-carboxylic acid

1-(2-methylbutan-2-ylsulfamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 18613582) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(2-methylbutan-2-ylsulfamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylbutan-2-ylsulfamoyl)pyrrolidine-2-carboxylic acid
PubChem CID18613582
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name1-(2-methylbutan-2-ylsulfamoyl)pyrrolidine-2-carboxylic acid
SMILESCCC(C)(C)NS(=O)(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-4-10(2,3)11-17(15,16)12-7-5-6-8(12)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)
InChIKeyPNCCDYLOFLALRD-UHFFFAOYSA-N
XLogP0.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-ylsulfamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-methylbutan-2-ylsulfamoyl)pyrrolidine-2-carboxylic acid (CID 18613582) is 1-(2-methylbutan-2-ylsulfamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methylbutan-2-ylsulfamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methylbutan-2-ylsulfamoyl)pyrrolidine-2-carboxylic acid is CCC(C)(C)NS(=O)(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(2-methylbutan-2-ylsulfamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PNCCDYLOFLALRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-4-10(2,3)11-17(15,16)12-7-5-6-8(12)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 1-(2-methylbutan-2-ylsulfamoyl)pyrrolidine-2-carboxylic acid?
1-(2-methylbutan-2-ylsulfamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 264.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-ylsulfamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 18613582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).