3-(azetidin-1-ylsulfonyl)propanoic acid

C6H11NO4S — CID 43440227

IUPAC3-(azetidin-1-ylsulfonyl)propanoic acid
SMILESO=C(O)CCS(=O)(=O)N1CCC1
InChIInChI=1S/C6H11NO4S/c8-6(9)2-5-12(10,11)7-3-1-4-7/h1-5H2,(H,8,9)
InChIKeyBXCXLZOLGUIRGN-UHFFFAOYSA-N
MW193.22 g/mol
LogP-0.50
Rot. Bonds4

About 3-(azetidin-1-ylsulfonyl)propanoic acid

3-(azetidin-1-ylsulfonyl)propanoic acid (PubChem CID 43440227) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-(azetidin-1-ylsulfonyl)propanoic acid.

Molecular Properties

Compound Name3-(azetidin-1-ylsulfonyl)propanoic acid
PubChem CID43440227
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name3-(azetidin-1-ylsulfonyl)propanoic acid
SMILESO=C(O)CCS(=O)(=O)N1CCC1
InChIInChI=1S/C6H11NO4S/c8-6(9)2-5-12(10,11)7-3-1-4-7/h1-5H2,(H,8,9)
InChIKeyBXCXLZOLGUIRGN-UHFFFAOYSA-N
XLogP-0.50
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-ylsulfonyl)propanoic acid?
The IUPAC name of 3-(azetidin-1-ylsulfonyl)propanoic acid (CID 43440227) is 3-(azetidin-1-ylsulfonyl)propanoic acid.
What is the SMILES notation for 3-(azetidin-1-ylsulfonyl)propanoic acid?
The canonical SMILES for 3-(azetidin-1-ylsulfonyl)propanoic acid is O=C(O)CCS(=O)(=O)N1CCC1.
What is the InChIKey of 3-(azetidin-1-ylsulfonyl)propanoic acid?
The InChIKey is BXCXLZOLGUIRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c8-6(9)2-5-12(10,11)7-3-1-4-7/h1-5H2,(H,8,9).
What are the key properties of 3-(azetidin-1-ylsulfonyl)propanoic acid?
3-(azetidin-1-ylsulfonyl)propanoic acid has a molecular weight of 193.22 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-ylsulfonyl)propanoic acid is sourced from PubChem (CID 43440227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).