3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid

C11H22N2O4S — CID 62989593

IUPAC3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid
SMILESCC(CNS(=O)(=O)CCC(=O)O)CN1CCCC1
InChIInChI=1S/C11H22N2O4S/c1-10(9-13-5-2-3-6-13)8-12-18(16,17)7-4-11(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyCRUOWDMOCNGXQE-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.11
Rot. Bonds8

About 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid

3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid (PubChem CID 62989593) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid
PubChem CID62989593
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid
SMILESCC(CNS(=O)(=O)CCC(=O)O)CN1CCCC1
InChIInChI=1S/C11H22N2O4S/c1-10(9-13-5-2-3-6-13)8-12-18(16,17)7-4-11(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyCRUOWDMOCNGXQE-UHFFFAOYSA-N
XLogP0.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid
CID 62991707
N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
CID 61384303
3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid
CID 61472996
1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide
CID 83086462
3-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]propanoic acid
CID 63964847
3-(2-hydroxypropylsulfamoyl)propanoic acid
CID 43499066
3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid
CID 58659564
3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid
CID 102903683
3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]sulfamoyl]propanoic acid
CID 61240639
4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid
CID 64890132
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid (CID 62989593) is 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid is CC(CNS(=O)(=O)CCC(=O)O)CN1CCCC1.
What is the InChIKey of 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid?
The InChIKey is CRUOWDMOCNGXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-10(9-13-5-2-3-6-13)8-12-18(16,17)7-4-11(14)15/h10,12H,2-9H2,1H3,(H,14,15).
What are the key properties of 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid?
3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 62989593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).