3-(2-hydroxypropylsulfamoyl)propanoic acid

C6H13NO5S — CID 43499066

IUPAC3-(2-hydroxypropylsulfamoyl)propanoic acid
SMILESCC(O)CNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C6H13NO5S/c1-5(8)4-7-13(11,12)3-2-6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKeyJSKZYFWDGGLDIX-UHFFFAOYSA-N
MW211.24 g/mol
LogP-1.24
Rot. Bonds6

About 3-(2-hydroxypropylsulfamoyl)propanoic acid

3-(2-hydroxypropylsulfamoyl)propanoic acid (PubChem CID 43499066) has the molecular formula C6H13NO5S and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-(2-hydroxypropylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(2-hydroxypropylsulfamoyl)propanoic acid
PubChem CID43499066
Molecular FormulaC6H13NO5S
Molecular Weight211.24 g/mol
Exact Mass211.05
IUPAC Name3-(2-hydroxypropylsulfamoyl)propanoic acid
SMILESCC(O)CNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C6H13NO5S/c1-5(8)4-7-13(11,12)3-2-6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKeyJSKZYFWDGGLDIX-UHFFFAOYSA-N
XLogP-1.24
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid
CID 102903683
3-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]propanoic acid
CID 63964847
3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid
CID 62989593
4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid
CID 64541919
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580
4-(3-hydroxybutylsulfamoyl)butanoic acid
CID 64928300
3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]sulfamoyl]propanoic acid
CID 61240639
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
5-(butylsulfonylamino)-4-methylpentanoic acid
CID 82016892
3-(butan-2-ylsulfamoyl)propanoic acid
CID 43209514
5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid
CID 82684266
4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid
CID 107151263

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropylsulfamoyl)propanoic acid?
The IUPAC name of 3-(2-hydroxypropylsulfamoyl)propanoic acid (CID 43499066) is 3-(2-hydroxypropylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(2-hydroxypropylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(2-hydroxypropylsulfamoyl)propanoic acid is CC(O)CNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(2-hydroxypropylsulfamoyl)propanoic acid?
The InChIKey is JSKZYFWDGGLDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5S/c1-5(8)4-7-13(11,12)3-2-6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-(2-hydroxypropylsulfamoyl)propanoic acid?
3-(2-hydroxypropylsulfamoyl)propanoic acid has a molecular weight of 211.24 g/mol, XLogP of -1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropylsulfamoyl)propanoic acid is sourced from PubChem (CID 43499066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).