2-(3-aminoazetidin-1-yl)sulfonylacetic acid

C5H10N2O4S — CID 65244288

IUPAC2-(3-aminoazetidin-1-yl)sulfonylacetic acid
SMILESNC1CN(S(=O)(=O)CC(=O)O)C1
InChIInChI=1S/C5H10N2O4S/c6-4-1-7(2-4)12(10,11)3-5(8)9/h4H,1-3,6H2,(H,8,9)
InChIKeyGSHQBXCWJRVZFI-UHFFFAOYSA-N
MW194.21 g/mol
LogP-1.96
Rot. Bonds3

About 2-(3-aminoazetidin-1-yl)sulfonylacetic acid

2-(3-aminoazetidin-1-yl)sulfonylacetic acid (PubChem CID 65244288) has the molecular formula C5H10N2O4S and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)sulfonylacetic acid
PubChem CID65244288
Molecular FormulaC5H10N2O4S
Molecular Weight194.21 g/mol
Exact Mass194.04
IUPAC Name2-(3-aminoazetidin-1-yl)sulfonylacetic acid
SMILESNC1CN(S(=O)(=O)CC(=O)O)C1
InChIInChI=1S/C5H10N2O4S/c6-4-1-7(2-4)12(10,11)3-5(8)9/h4H,1-3,6H2,(H,8,9)
InChIKeyGSHQBXCWJRVZFI-UHFFFAOYSA-N
XLogP-1.96
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)sulfonylacetic acid?
The IUPAC name of 2-(3-aminoazetidin-1-yl)sulfonylacetic acid (CID 65244288) is 2-(3-aminoazetidin-1-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)sulfonylacetic acid?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)sulfonylacetic acid is NC1CN(S(=O)(=O)CC(=O)O)C1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)sulfonylacetic acid?
The InChIKey is GSHQBXCWJRVZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4S/c6-4-1-7(2-4)12(10,11)3-5(8)9/h4H,1-3,6H2,(H,8,9).
What are the key properties of 2-(3-aminoazetidin-1-yl)sulfonylacetic acid?
2-(3-aminoazetidin-1-yl)sulfonylacetic acid has a molecular weight of 194.21 g/mol, XLogP of -1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)sulfonylacetic acid is sourced from PubChem (CID 65244288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).