3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid

C10H15NO5S — CID 43708955

IUPAC3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
SMILESCC(Cc1ccco1)NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H15NO5S/c1-8(7-9-3-2-5-16-9)11-17(14,15)6-4-10(12)13/h2-3,5,8,11H,4,6-7H2,1H3,(H,12,13)
InChIKeyROOWLNCSULWEJB-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.60
Rot. Bonds7

About 3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid

3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid (PubChem CID 43708955) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
PubChem CID43708955
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
SMILESCC(Cc1ccco1)NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H15NO5S/c1-8(7-9-3-2-5-16-9)11-17(14,15)6-4-10(12)13/h2-3,5,8,11H,4,6-7H2,1H3,(H,12,13)
InChIKeyROOWLNCSULWEJB-UHFFFAOYSA-N
XLogP0.60
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid
CID 43535671
1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide
CID 34161180
2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]pentanedioic acid
CID 61471226
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid
CID 65062809
(2R)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylsulfonylpropanamide
CID 94171682
7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid
CID 61471041
4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide
CID 51078414
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81258780
3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid
CID 43526885

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid?
The IUPAC name of 3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid (CID 43708955) is 3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid is CC(Cc1ccco1)NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid?
The InChIKey is ROOWLNCSULWEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-8(7-9-3-2-5-16-9)11-17(14,15)6-4-10(12)13/h2-3,5,8,11H,4,6-7H2,1H3,(H,12,13).
What are the key properties of 3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid?
3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid has a molecular weight of 261.30 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid is sourced from PubChem (CID 43708955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).