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

C6H13NO5S — CID 60950996

IUPAC3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid
SMILESCN(CCO)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C6H13NO5S/c1-7(3-4-8)13(11,12)5-2-6(9)10/h8H,2-5H2,1H3,(H,9,10)
InChIKeyKUOMGSQAWRKKKC-UHFFFAOYSA-N
MW211.24 g/mol
LogP-1.28
Rot. Bonds6

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

3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid (PubChem CID 60950996) has the molecular formula C6H13NO5S and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid
PubChem CID60950996
Molecular FormulaC6H13NO5S
Molecular Weight211.24 g/mol
Exact Mass211.05
IUPAC Name3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid
SMILESCN(CCO)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C6H13NO5S/c1-7(3-4-8)13(11,12)5-2-6(9)10/h8H,2-5H2,1H3,(H,9,10)
InChIKeyKUOMGSQAWRKKKC-UHFFFAOYSA-N
XLogP-1.28
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid
CID 63631065
3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid
CID 79019132
3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]propanoic acid
CID 60949142
3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid
CID 60952620
3-[(4-chlorophenyl)methyl-methylsulfamoyl]propanoic acid
CID 43173105
3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154
2-(dimethylamino)ethanol;hexanedioic acid
CID 159637742
1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 60961276
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
3-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]propanoic acid
CID 54876098
4-[methyl(2-phenylethylsulfonyl)amino]butanoic acid
CID 39385608
3-[(2-anilino-2-oxoethyl)-methylsulfamoyl]propanoic acid
CID 60950687

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid (CID 60950996) is 3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid is CN(CCO)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid?
The InChIKey is KUOMGSQAWRKKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5S/c1-7(3-4-8)13(11,12)5-2-6(9)10/h8H,2-5H2,1H3,(H,9,10).
What are the key properties of 3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid?
3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid has a molecular weight of 211.24 g/mol, XLogP of -1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 60950996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).