2,2-dimethyl-4-[3-(4-methyl-3-sulfamoylpyrazol-1-yl)propyl]pyrrolidine-1-carboxylic acid

C14H24N4O4S — CID 139389144

IUPAC2,2-dimethyl-4-[3-(4-methyl-3-sulfamoylpyrazol-1-yl)propyl]pyrrolidine-1-carboxylic acid
SMILESCc1cn(CCCC2CN(C(=O)O)C(C)(C)C2)nc1S(N)(=O)=O
InChIInChI=1S/C14H24N4O4S/c1-10-8-17(16-12(10)23(15,21)22)6-4-5-11-7-14(2,3)18(9-11)13(19)20/h8,11H,4-7,9H2,1-3H3,(H,19,20)(H2,15,21,22)
InChIKeyVJBBOBVFUSLXAS-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.40
Rot. Bonds5

About 2,2-dimethyl-4-[3-(4-methyl-3-sulfamoylpyrazol-1-yl)propyl]pyrrolidine-1-carboxylic acid

2,2-dimethyl-4-[3-(4-methyl-3-sulfamoylpyrazol-1-yl)propyl]pyrrolidine-1-carboxylic acid (PubChem CID 139389144) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2,2-dimethyl-4-[3-(4-methyl-3-sulfamoylpyrazol-1-yl)propyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[3-(4-methyl-3-sulfamoylpyrazol-1-yl)propyl]pyrrolidine-1-carboxylic acid
PubChem CID139389144
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name2,2-dimethyl-4-[3-(4-methyl-3-sulfamoylpyrazol-1-yl)propyl]pyrrolidine-1-carboxylic acid
SMILESCc1cn(CCCC2CN(C(=O)O)C(C)(C)C2)nc1S(N)(=O)=O
InChIInChI=1S/C14H24N4O4S/c1-10-8-17(16-12(10)23(15,21)22)6-4-5-11-7-14(2,3)18(9-11)13(19)20/h8,11H,4-7,9H2,1-3H3,(H,19,20)(H2,15,21,22)
InChIKeyVJBBOBVFUSLXAS-UHFFFAOYSA-N
XLogP1.40
TPSA118.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[3-(4-methyl-3-sulfamoylpyrazol-1-yl)propyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-4-[3-(4-methyl-3-sulfamoylpyrazol-1-yl)propyl]pyrrolidine-1-carboxylic acid (CID 139389144) is 2,2-dimethyl-4-[3-(4-methyl-3-sulfamoylpyrazol-1-yl)propyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-4-[3-(4-methyl-3-sulfamoylpyrazol-1-yl)propyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-4-[3-(4-methyl-3-sulfamoylpyrazol-1-yl)propyl]pyrrolidine-1-carboxylic acid is Cc1cn(CCCC2CN(C(=O)O)C(C)(C)C2)nc1S(N)(=O)=O.
What is the InChIKey of 2,2-dimethyl-4-[3-(4-methyl-3-sulfamoylpyrazol-1-yl)propyl]pyrrolidine-1-carboxylic acid?
The InChIKey is VJBBOBVFUSLXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-10-8-17(16-12(10)23(15,21)22)6-4-5-11-7-14(2,3)18(9-11)13(19)20/h8,11H,4-7,9H2,1-3H3,(H,19,20)(H2,15,21,22).
What are the key properties of 2,2-dimethyl-4-[3-(4-methyl-3-sulfamoylpyrazol-1-yl)propyl]pyrrolidine-1-carboxylic acid?
2,2-dimethyl-4-[3-(4-methyl-3-sulfamoylpyrazol-1-yl)propyl]pyrrolidine-1-carboxylic acid has a molecular weight of 344.44 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[3-(4-methyl-3-sulfamoylpyrazol-1-yl)propyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 139389144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).