2-ethyl-4-sulfamoylbutanoic acid

C6H13NO4S — CID 87250376

IUPAC2-ethyl-4-sulfamoylbutanoic acid
SMILESCCC(CCS(N)(=O)=O)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-2-5(6(8)9)3-4-12(7,10)11/h5H,2-4H2,1H3,(H,8,9)(H2,7,10,11)
InChIKeyGIQBQMURWDWXKS-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.22
Rot. Bonds5

About 2-ethyl-4-sulfamoylbutanoic acid

2-ethyl-4-sulfamoylbutanoic acid (PubChem CID 87250376) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-ethyl-4-sulfamoylbutanoic acid.

Molecular Properties

Compound Name2-ethyl-4-sulfamoylbutanoic acid
PubChem CID87250376
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name2-ethyl-4-sulfamoylbutanoic acid
SMILESCCC(CCS(N)(=O)=O)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-2-5(6(8)9)3-4-12(7,10)11/h5H,2-4H2,1H3,(H,8,9)(H2,7,10,11)
InChIKeyGIQBQMURWDWXKS-UHFFFAOYSA-N
XLogP-0.22
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-sulfamoylbutanoic Acid
CID 2773320
2-Sulfamoylpentanoic acid
CID 21241989
3-aminosulfonyl-2(R)-methylpropionic acid
CID 18738435
2-Sulfamoylbutanoic acid
CID 21241990
2-Methyl-3-sulfamoylpropanoic acid
CID 21985264
2-Methyl-2-sulfamoylbutanoic acid
CID 23171219
2-Chlorosulfonyl-3-methylbutanoic acid
CID 23461312
(2S)-2-methyl-3-sulfamoylpropanoic acid
CID 53696833
4-Hydroxy-2-methyl-4-oxobutane-1-sulfinate
CID 53926920
4-Chlorosulfonyl-3-methylbutanoic acid
CID 54065499
2-Methyl-4-sulfobutanoic acid
CID 54095522
2-Methyl-4-sulfamoylbutanoic acid
CID 54302714

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-sulfamoylbutanoic acid?
The IUPAC name of 2-ethyl-4-sulfamoylbutanoic acid (CID 87250376) is 2-ethyl-4-sulfamoylbutanoic acid.
What is the SMILES notation for 2-ethyl-4-sulfamoylbutanoic acid?
The canonical SMILES for 2-ethyl-4-sulfamoylbutanoic acid is CCC(CCS(N)(=O)=O)C(=O)O.
What is the InChIKey of 2-ethyl-4-sulfamoylbutanoic acid?
The InChIKey is GIQBQMURWDWXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-2-5(6(8)9)3-4-12(7,10)11/h5H,2-4H2,1H3,(H,8,9)(H2,7,10,11).
What are the key properties of 2-ethyl-4-sulfamoylbutanoic acid?
2-ethyl-4-sulfamoylbutanoic acid has a molecular weight of 195.24 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-sulfamoylbutanoic acid is sourced from PubChem (CID 87250376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).