2-(azetidin-1-ylsulfonyl)acetic acid

C5H9NO4S — CID 43440211

IUPAC2-(azetidin-1-ylsulfonyl)acetic acid
SMILESO=C(O)CS(=O)(=O)N1CCC1
InChIInChI=1S/C5H9NO4S/c7-5(8)4-11(9,10)6-2-1-3-6/h1-4H2,(H,7,8)
InChIKeyAVSSWUCMPZBZJZ-UHFFFAOYSA-N
MW179.20 g/mol
LogP-0.89
Rot. Bonds3

About 2-(azetidin-1-ylsulfonyl)acetic acid

2-(azetidin-1-ylsulfonyl)acetic acid (PubChem CID 43440211) has the molecular formula C5H9NO4S and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-(azetidin-1-ylsulfonyl)acetic acid.

Molecular Properties

Compound Name2-(azetidin-1-ylsulfonyl)acetic acid
PubChem CID43440211
Molecular FormulaC5H9NO4S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Name2-(azetidin-1-ylsulfonyl)acetic acid
SMILESO=C(O)CS(=O)(=O)N1CCC1
InChIInChI=1S/C5H9NO4S/c7-5(8)4-11(9,10)6-2-1-3-6/h1-4H2,(H,7,8)
InChIKeyAVSSWUCMPZBZJZ-UHFFFAOYSA-N
XLogP-0.89
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylsulfonyl)acetic acid?
The IUPAC name of 2-(azetidin-1-ylsulfonyl)acetic acid (CID 43440211) is 2-(azetidin-1-ylsulfonyl)acetic acid.
What is the SMILES notation for 2-(azetidin-1-ylsulfonyl)acetic acid?
The canonical SMILES for 2-(azetidin-1-ylsulfonyl)acetic acid is O=C(O)CS(=O)(=O)N1CCC1.
What is the InChIKey of 2-(azetidin-1-ylsulfonyl)acetic acid?
The InChIKey is AVSSWUCMPZBZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4S/c7-5(8)4-11(9,10)6-2-1-3-6/h1-4H2,(H,7,8).
What are the key properties of 2-(azetidin-1-ylsulfonyl)acetic acid?
2-(azetidin-1-ylsulfonyl)acetic acid has a molecular weight of 179.20 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylsulfonyl)acetic acid is sourced from PubChem (CID 43440211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).