3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid

C10H20N2O4S — CID 61472996

IUPAC3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid
SMILESCC(CN1CCCC1)NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H20N2O4S/c1-9(8-12-5-2-3-6-12)11-17(15,16)7-4-10(13)14/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyPSQHVZXWMHTTBN-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.14
Rot. Bonds7

About 3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid

3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid (PubChem CID 61472996) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid
PubChem CID61472996
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid
SMILESCC(CN1CCCC1)NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H20N2O4S/c1-9(8-12-5-2-3-6-12)11-17(15,16)7-4-10(13)14/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyPSQHVZXWMHTTBN-UHFFFAOYSA-N
XLogP-0.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid
CID 62989593
3-(butan-2-ylsulfamoyl)propanoic acid
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N-(1-piperidin-1-ylpropan-2-yl)ethanesulfonamide
CID 64584940
3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide
CID 106009226
N-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide
CID 86804950
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid
CID 62991707
3-(ethylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1-sulfonamide
CID 106050931
3-(5-methylhexan-2-ylsulfamoyl)propanoic acid
CID 43578597
3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953755
3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid
CID 58659564
1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 61473233
3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid
CID 103247695

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid?
The IUPAC name of 3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid (CID 61472996) is 3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid is CC(CN1CCCC1)NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid?
The InChIKey is PSQHVZXWMHTTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-9(8-12-5-2-3-6-12)11-17(15,16)7-4-10(13)14/h9,11H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid?
3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid has a molecular weight of 264.35 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 61472996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).