2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid

C11H13NO5S — CID 54947859

IUPAC2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C11H13NO5S/c1-7(11(13)14)18(15,16)12-9-2-3-10-8(6-9)4-5-17-10/h2-3,6-7,12H,4-5H2,1H3,(H,13,14)
InChIKeyCXGGWPYKHXJVFV-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.84
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid

2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid (PubChem CID 54947859) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid
PubChem CID54947859
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C11H13NO5S/c1-7(11(13)14)18(15,16)12-9-2-3-10-8(6-9)4-5-17-10/h2-3,6-7,12H,4-5H2,1H3,(H,13,14)
InChIKeyCXGGWPYKHXJVFV-UHFFFAOYSA-N
XLogP0.84
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-3-methylbutanoic acid
CID 115186146
2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 107903969
4-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-4-oxobutanoic acid
CID 115164479
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242
5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid
CID 62965231
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide
CID 62851670
4-(3,4-dihydro-2H-chromen-6-ylamino)-2-methylbutanoic acid
CID 115220543
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-methylbutanoic acid
CID 115220891
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentanamide
CID 110837781
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657
2-[(3-methylsulfanylphenyl)sulfamoyl]propanoic acid
CID 54947268
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid (CID 54947859) is 2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)Nc1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid?
The InChIKey is CXGGWPYKHXJVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c1-7(11(13)14)18(15,16)12-9-2-3-10-8(6-9)4-5-17-10/h2-3,6-7,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid?
2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid has a molecular weight of 271.29 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 54947859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).