2,2-dioxooxathiazolidine-3-carboxylic acid

C3H5NO5S — CID 22338137

IUPAC2,2-dioxooxathiazolidine-3-carboxylic acid
SMILESO=C(O)N1CCOS1(=O)=O
InChIInChI=1S/C3H5NO5S/c5-3(6)4-1-2-9-10(4,7)8/h1-2H2,(H,5,6)
InChIKeyFDWQFKPIESFRHX-UHFFFAOYSA-N
MW167.14 g/mol
LogP-0.76
Rot. Bonds

About 2,2-dioxooxathiazolidine-3-carboxylic acid

2,2-dioxooxathiazolidine-3-carboxylic acid (PubChem CID 22338137) has the molecular formula C3H5NO5S and a molecular weight of 167.14 g/mol. Its IUPAC name is 2,2-dioxooxathiazolidine-3-carboxylic acid.

Molecular Properties

Compound Name2,2-dioxooxathiazolidine-3-carboxylic acid
PubChem CID22338137
Molecular FormulaC3H5NO5S
Molecular Weight167.14 g/mol
Exact Mass166.99
IUPAC Name2,2-dioxooxathiazolidine-3-carboxylic acid
SMILESO=C(O)N1CCOS1(=O)=O
InChIInChI=1S/C3H5NO5S/c5-3(6)4-1-2-9-10(4,7)8/h1-2H2,(H,5,6)
InChIKeyFDWQFKPIESFRHX-UHFFFAOYSA-N
XLogP-0.76
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dioxooxathiazolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dioxooxathiazolidine-3-carboxylic acid?
The IUPAC name of 2,2-dioxooxathiazolidine-3-carboxylic acid (CID 22338137) is 2,2-dioxooxathiazolidine-3-carboxylic acid.
What is the SMILES notation for 2,2-dioxooxathiazolidine-3-carboxylic acid?
The canonical SMILES for 2,2-dioxooxathiazolidine-3-carboxylic acid is O=C(O)N1CCOS1(=O)=O.
What is the InChIKey of 2,2-dioxooxathiazolidine-3-carboxylic acid?
The InChIKey is FDWQFKPIESFRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO5S/c5-3(6)4-1-2-9-10(4,7)8/h1-2H2,(H,5,6).
What are the key properties of 2,2-dioxooxathiazolidine-3-carboxylic acid?
2,2-dioxooxathiazolidine-3-carboxylic acid has a molecular weight of 167.14 g/mol, XLogP of -0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxooxathiazolidine-3-carboxylic acid is sourced from PubChem (CID 22338137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).