3-(butan-2-ylsulfamoyl)propanoic acid

C7H15NO4S — CID 43209514

IUPAC3-(butan-2-ylsulfamoyl)propanoic acid
SMILESCCC(C)NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H15NO4S/c1-3-6(2)8-13(11,12)5-4-7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyIJWBFTGFKDRIPQ-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.18
Rot. Bonds6

About 3-(butan-2-ylsulfamoyl)propanoic acid

3-(butan-2-ylsulfamoyl)propanoic acid (PubChem CID 43209514) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-(butan-2-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(butan-2-ylsulfamoyl)propanoic acid
PubChem CID43209514
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name3-(butan-2-ylsulfamoyl)propanoic acid
SMILESCCC(C)NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H15NO4S/c1-3-6(2)8-13(11,12)5-4-7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyIJWBFTGFKDRIPQ-UHFFFAOYSA-N
XLogP0.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methylhexan-2-ylsulfamoyl)propanoic acid
CID 43578597
ethyl 3-(butan-2-ylsulfamoyl)propanoate
CID 63900304
3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid
CID 61472996
3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid
CID 43716066
N-butan-2-ylethanesulfonamide
CID 5091177
N-butan-2-yl-3-methylbutane-1-sulfonamide
CID 63373512
3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid
CID 43361780
3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid
CID 65192775
3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
CID 43708955
N-butan-2-yl-2-ethoxyethanesulfonamide
CID 62732367
3-(2-hydroxypropylsulfamoyl)propanoic acid
CID 43499066
3-[[(1S)-1-(4-methylphenyl)ethyl]sulfamoyl]propanoic acid
CID 81350145

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylsulfamoyl)propanoic acid?
The IUPAC name of 3-(butan-2-ylsulfamoyl)propanoic acid (CID 43209514) is 3-(butan-2-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(butan-2-ylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(butan-2-ylsulfamoyl)propanoic acid is CCC(C)NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(butan-2-ylsulfamoyl)propanoic acid?
The InChIKey is IJWBFTGFKDRIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-3-6(2)8-13(11,12)5-4-7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 3-(butan-2-ylsulfamoyl)propanoic acid?
3-(butan-2-ylsulfamoyl)propanoic acid has a molecular weight of 209.27 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 43209514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).