3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid

C13H19NO4S — CID 43361780

IUPAC3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid
SMILESCC(CCc1ccccc1)NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C13H19NO4S/c1-11(7-8-12-5-3-2-4-6-12)14-19(17,18)10-9-13(15)16/h2-6,11,14H,7-10H2,1H3,(H,15,16)
InChIKeyZVADROOSSOWETI-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.40
Rot. Bonds8

About 3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid

3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid (PubChem CID 43361780) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid
PubChem CID43361780
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid
SMILESCC(CCc1ccccc1)NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C13H19NO4S/c1-11(7-8-12-5-3-2-4-6-12)14-19(17,18)10-9-13(15)16/h2-6,11,14H,7-10H2,1H3,(H,15,16)
InChIKeyZVADROOSSOWETI-UHFFFAOYSA-N
XLogP1.40
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methylhexan-2-ylsulfamoyl)propanoic acid
CID 43578597
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 25046012
2-(2-phenylethylsulfonylamino)pentanedioic acid
CID 60830006
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide
CID 2228868
N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide
CID 80688482
3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid
CID 63261722
3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
CID 43708955
1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide
CID 95733759
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid
CID 82854201

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid?
The IUPAC name of 3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid (CID 43361780) is 3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid is CC(CCc1ccccc1)NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid?
The InChIKey is ZVADROOSSOWETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-11(7-8-12-5-3-2-4-6-12)14-19(17,18)10-9-13(15)16/h2-6,11,14H,7-10H2,1H3,(H,15,16).
What are the key properties of 3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid?
3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid has a molecular weight of 285.36 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 43361780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).