2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid

C11H20N2O4S — CID 54947383

IUPAC2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NC1CCN2CCCCC12
InChIInChI=1S/C11H20N2O4S/c1-8(11(14)15)18(16,17)12-9-5-7-13-6-3-2-4-10(9)13/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeyAMNXVTFWYDKSFS-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.01
Rot. Bonds4

About 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid

2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid (PubChem CID 54947383) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid
PubChem CID54947383
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NC1CCN2CCCCC12
InChIInChI=1S/C11H20N2O4S/c1-8(11(14)15)18(16,17)12-9-5-7-13-6-3-2-4-10(9)13/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeyAMNXVTFWYDKSFS-UHFFFAOYSA-N
XLogP0.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid?
The IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid (CID 54947383) is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)NC1CCN2CCCCC12.
What is the InChIKey of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid?
The InChIKey is AMNXVTFWYDKSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-8(11(14)15)18(16,17)12-9-5-7-13-6-3-2-4-10(9)13/h8-10,12H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid?
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid has a molecular weight of 276.36 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 54947383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).