4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid

C12H17N3O5S — CID 106185356

IUPAC4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)NC2CNC(=O)C2)cc1C(=O)O
InChIInChI=1S/C12H17N3O5S/c1-2-3-15-7-9(5-10(15)12(17)18)21(19,20)14-8-4-11(16)13-6-8/h5,7-8,14H,2-4,6H2,1H3,(H,13,16)(H,17,18)
InChIKeyWXVCIIFIXVHPSP-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.24
Rot. Bonds6

About 4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid

4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid (PubChem CID 106185356) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
PubChem CID106185356
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)NC2CNC(=O)C2)cc1C(=O)O
InChIInChI=1S/C12H17N3O5S/c1-2-3-15-7-9(5-10(15)12(17)18)21(19,20)14-8-4-11(16)13-6-8/h5,7-8,14H,2-4,6H2,1H3,(H,13,16)(H,17,18)
InChIKeyWXVCIIFIXVHPSP-UHFFFAOYSA-N
XLogP-0.24
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 106185307
1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 63663509
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644573
4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 43644546
1-ethyl-4-[(1-methylpyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 61465078
4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 62693061
4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 64571046
4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644286
4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 66169532
N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide
CID 104696895
4-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 115358273

Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid (CID 106185356) is 4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid is CCCn1cc(S(=O)(=O)NC2CNC(=O)C2)cc1C(=O)O.
What is the InChIKey of 4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
The InChIKey is WXVCIIFIXVHPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-2-3-15-7-9(5-10(15)12(17)18)21(19,20)14-8-4-11(16)13-6-8/h5,7-8,14H,2-4,6H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid is sourced from PubChem (CID 106185356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).