2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid

C13H24N2O4S — CID 61457776

IUPAC2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C13H24N2O4S/c1-10(12(16)17)20(18,19)15-11-5-8-14-13(9-11)6-3-2-4-7-13/h10-11,14-15H,2-9H2,1H3,(H,16,17)
InChIKeySCYCFIUAXLAKFC-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.83
Rot. Bonds4

About 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid

2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid (PubChem CID 61457776) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid
PubChem CID61457776
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C13H24N2O4S/c1-10(12(16)17)20(18,19)15-11-5-8-14-13(9-11)6-3-2-4-7-13/h10-11,14-15H,2-9H2,1H3,(H,16,17)
InChIKeySCYCFIUAXLAKFC-UHFFFAOYSA-N
XLogP0.83
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid?
The IUPAC name of 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid (CID 61457776) is 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid?
The InChIKey is SCYCFIUAXLAKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-10(12(16)17)20(18,19)15-11-5-8-14-13(9-11)6-3-2-4-7-13/h10-11,14-15H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid?
2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid has a molecular weight of 304.41 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 61457776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).