(3S)-3-methyl-4-sulfamoylbutanoic acid

C5H11NO4S — CID 129231504

IUPAC(3S)-3-methyl-4-sulfamoylbutanoic acid
SMILESC[C@@H](CC(=O)O)CS(N)(=O)=O
InChIInChI=1S/C5H11NO4S/c1-4(2-5(7)8)3-11(6,9)10/h4H,2-3H2,1H3,(H,7,8)(H2,6,9,10)/t4-/m0/s1
InChIKeyYSJVOTIIXOOOCI-BYPYZUCNSA-N
MW181.21 g/mol
LogP-0.61
Rot. Bonds4

About (3S)-3-methyl-4-sulfamoylbutanoic acid

(3S)-3-methyl-4-sulfamoylbutanoic acid (PubChem CID 129231504) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is (3S)-3-methyl-4-sulfamoylbutanoic acid.

Molecular Properties

Compound Name(3S)-3-methyl-4-sulfamoylbutanoic acid
PubChem CID129231504
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name(3S)-3-methyl-4-sulfamoylbutanoic acid
SMILESC[C@@H](CC(=O)O)CS(N)(=O)=O
InChIInChI=1S/C5H11NO4S/c1-4(2-5(7)8)3-11(6,9)10/h4H,2-3H2,1H3,(H,7,8)(H2,6,9,10)/t4-/m0/s1
InChIKeyYSJVOTIIXOOOCI-BYPYZUCNSA-N
XLogP-0.61
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.61
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-Methanesulfonyl-2-methylbutanoic acid
CID 13952298
3-aminosulfonyl-2(R)-methylpropionic acid
CID 18738435
4-Methanesulfonyl-2-methylbutanoic acid
CID 20769658
2-Sulfamoylbutanoic acid
CID 21241990
2-Methyl-3-sulfamoylpropanoic acid
CID 21985264
2-Chlorosulfonylmethyl-3-methylbutyric acid
CID 22337481
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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-sulfamoylbutanoic acid?
The IUPAC name of (3S)-3-methyl-4-sulfamoylbutanoic acid (CID 129231504) is (3S)-3-methyl-4-sulfamoylbutanoic acid.
What is the SMILES notation for (3S)-3-methyl-4-sulfamoylbutanoic acid?
The canonical SMILES for (3S)-3-methyl-4-sulfamoylbutanoic acid is C[C@@H](CC(=O)O)CS(N)(=O)=O.
What is the InChIKey of (3S)-3-methyl-4-sulfamoylbutanoic acid?
The InChIKey is YSJVOTIIXOOOCI-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-4(2-5(7)8)3-11(6,9)10/h4H,2-3H2,1H3,(H,7,8)(H2,6,9,10)/t4-/m0/s1.
What are the key properties of (3S)-3-methyl-4-sulfamoylbutanoic acid?
(3S)-3-methyl-4-sulfamoylbutanoic acid has a molecular weight of 181.21 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-sulfamoylbutanoic acid is sourced from PubChem (CID 129231504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).