4-(azetidin-1-ylsulfonyl)butanoic acid

C7H13NO4S — CID 43440226

IUPAC4-(azetidin-1-ylsulfonyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCC1
InChIInChI=1S/C7H13NO4S/c9-7(10)3-1-6-13(11,12)8-4-2-5-8/h1-6H2,(H,9,10)
InChIKeyKRRZRGNPYYDBDB-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.11
Rot. Bonds5

About 4-(azetidin-1-ylsulfonyl)butanoic acid

4-(azetidin-1-ylsulfonyl)butanoic acid (PubChem CID 43440226) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-(azetidin-1-ylsulfonyl)butanoic acid.

Molecular Properties

Compound Name4-(azetidin-1-ylsulfonyl)butanoic acid
PubChem CID43440226
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name4-(azetidin-1-ylsulfonyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCC1
InChIInChI=1S/C7H13NO4S/c9-7(10)3-1-6-13(11,12)8-4-2-5-8/h1-6H2,(H,9,10)
InChIKeyKRRZRGNPYYDBDB-UHFFFAOYSA-N
XLogP-0.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylsulfonyl)butanoic acid?
The IUPAC name of 4-(azetidin-1-ylsulfonyl)butanoic acid (CID 43440226) is 4-(azetidin-1-ylsulfonyl)butanoic acid.
What is the SMILES notation for 4-(azetidin-1-ylsulfonyl)butanoic acid?
The canonical SMILES for 4-(azetidin-1-ylsulfonyl)butanoic acid is O=C(O)CCCS(=O)(=O)N1CCC1.
What is the InChIKey of 4-(azetidin-1-ylsulfonyl)butanoic acid?
The InChIKey is KRRZRGNPYYDBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c9-7(10)3-1-6-13(11,12)8-4-2-5-8/h1-6H2,(H,9,10).
What are the key properties of 4-(azetidin-1-ylsulfonyl)butanoic acid?
4-(azetidin-1-ylsulfonyl)butanoic acid has a molecular weight of 207.25 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylsulfonyl)butanoic acid is sourced from PubChem (CID 43440226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).