2-(2,2,3-trimethyl-1,1,4-trioxo-1,3-thiazolidin-5-yl)acetic acid

C8H13NO5S — CID 59555250

IUPAC2-(2,2,3-trimethyl-1,1,4-trioxo-1,3-thiazolidin-5-yl)acetic acid
SMILESCN1C(=O)C(CC(=O)O)S(=O)(=O)C1(C)C
InChIInChI=1S/C8H13NO5S/c1-8(2)9(3)7(12)5(4-6(10)11)15(8,13)14/h5H,4H2,1-3H3,(H,10,11)
InChIKeyLMUAJNWDDFSLOA-UHFFFAOYSA-N
MW235.26 g/mol
LogP-0.55
Rot. Bonds2

About 2-(2,2,3-trimethyl-1,1,4-trioxo-1,3-thiazolidin-5-yl)acetic acid

2-(2,2,3-trimethyl-1,1,4-trioxo-1,3-thiazolidin-5-yl)acetic acid (PubChem CID 59555250) has the molecular formula C8H13NO5S and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-(2,2,3-trimethyl-1,1,4-trioxo-1,3-thiazolidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2,3-trimethyl-1,1,4-trioxo-1,3-thiazolidin-5-yl)acetic acid
PubChem CID59555250
Molecular FormulaC8H13NO5S
Molecular Weight235.26 g/mol
Exact Mass235.05
IUPAC Name2-(2,2,3-trimethyl-1,1,4-trioxo-1,3-thiazolidin-5-yl)acetic acid
SMILESCN1C(=O)C(CC(=O)O)S(=O)(=O)C1(C)C
InChIInChI=1S/C8H13NO5S/c1-8(2)9(3)7(12)5(4-6(10)11)15(8,13)14/h5H,4H2,1-3H3,(H,10,11)
InChIKeyLMUAJNWDDFSLOA-UHFFFAOYSA-N
XLogP-0.55
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3-trimethyl-1,1,4-trioxo-1,3-thiazolidin-5-yl)acetic acid?
The IUPAC name of 2-(2,2,3-trimethyl-1,1,4-trioxo-1,3-thiazolidin-5-yl)acetic acid (CID 59555250) is 2-(2,2,3-trimethyl-1,1,4-trioxo-1,3-thiazolidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2,2,3-trimethyl-1,1,4-trioxo-1,3-thiazolidin-5-yl)acetic acid?
The canonical SMILES for 2-(2,2,3-trimethyl-1,1,4-trioxo-1,3-thiazolidin-5-yl)acetic acid is CN1C(=O)C(CC(=O)O)S(=O)(=O)C1(C)C.
What is the InChIKey of 2-(2,2,3-trimethyl-1,1,4-trioxo-1,3-thiazolidin-5-yl)acetic acid?
The InChIKey is LMUAJNWDDFSLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5S/c1-8(2)9(3)7(12)5(4-6(10)11)15(8,13)14/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-(2,2,3-trimethyl-1,1,4-trioxo-1,3-thiazolidin-5-yl)acetic acid?
2-(2,2,3-trimethyl-1,1,4-trioxo-1,3-thiazolidin-5-yl)acetic acid has a molecular weight of 235.26 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3-trimethyl-1,1,4-trioxo-1,3-thiazolidin-5-yl)acetic acid is sourced from PubChem (CID 59555250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).