3-[2-hydroxyethyl(propyl)sulfamoyl]propanoic acid

C8H17NO5S — CID 60951421

IUPAC3-[2-hydroxyethyl(propyl)sulfamoyl]propanoic acid
SMILESCCCN(CCO)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H17NO5S/c1-2-4-9(5-6-10)15(13,14)7-3-8(11)12/h10H,2-7H2,1H3,(H,11,12)
InChIKeyWDZJWEYAZQBNJW-UHFFFAOYSA-N
MW239.29 g/mol
LogP-0.50
Rot. Bonds8

About 3-[2-hydroxyethyl(propyl)sulfamoyl]propanoic acid

3-[2-hydroxyethyl(propyl)sulfamoyl]propanoic acid (PubChem CID 60951421) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(propyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[2-hydroxyethyl(propyl)sulfamoyl]propanoic acid
PubChem CID60951421
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Name3-[2-hydroxyethyl(propyl)sulfamoyl]propanoic acid
SMILESCCCN(CCO)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H17NO5S/c1-2-4-9(5-6-10)15(13,14)7-3-8(11)12/h10H,2-7H2,1H3,(H,11,12)
InChIKeyWDZJWEYAZQBNJW-UHFFFAOYSA-N
XLogP-0.50
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(propyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[2-hydroxyethyl(propyl)sulfamoyl]propanoic acid (CID 60951421) is 3-[2-hydroxyethyl(propyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[2-hydroxyethyl(propyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[2-hydroxyethyl(propyl)sulfamoyl]propanoic acid is CCCN(CCO)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[2-hydroxyethyl(propyl)sulfamoyl]propanoic acid?
The InChIKey is WDZJWEYAZQBNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-2-4-9(5-6-10)15(13,14)7-3-8(11)12/h10H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-[2-hydroxyethyl(propyl)sulfamoyl]propanoic acid?
3-[2-hydroxyethyl(propyl)sulfamoyl]propanoic acid has a molecular weight of 239.29 g/mol, XLogP of -0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(propyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 60951421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).