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

C8H13NO4S — CID 59555011

IUPAC2-(2,2,3-trimethyl-1,4-dioxo-1,3-thiazolidin-5-yl)acetic acid
SMILESCN1C(=O)C(CC(=O)O)S(=O)C1(C)C
InChIInChI=1S/C8H13NO4S/c1-8(2)9(3)7(12)5(14(8)13)4-6(10)11/h5H,4H2,1-3H3,(H,10,11)
InChIKeyNJWHRHWLFXZCAK-UHFFFAOYSA-N
MW219.26 g/mol
LogP-0.21
Rot. Bonds2

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

2-(2,2,3-trimethyl-1,4-dioxo-1,3-thiazolidin-5-yl)acetic acid (PubChem CID 59555011) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(2,2,3-trimethyl-1,4-dioxo-1,3-thiazolidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2,3-trimethyl-1,4-dioxo-1,3-thiazolidin-5-yl)acetic acid
PubChem CID59555011
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name2-(2,2,3-trimethyl-1,4-dioxo-1,3-thiazolidin-5-yl)acetic acid
SMILESCN1C(=O)C(CC(=O)O)S(=O)C1(C)C
InChIInChI=1S/C8H13NO4S/c1-8(2)9(3)7(12)5(14(8)13)4-6(10)11/h5H,4H2,1-3H3,(H,10,11)
InChIKeyNJWHRHWLFXZCAK-UHFFFAOYSA-N
XLogP-0.21
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3-trimethyl-1,4-dioxo-1,3-thiazolidin-5-yl)acetic acid?
The IUPAC name of 2-(2,2,3-trimethyl-1,4-dioxo-1,3-thiazolidin-5-yl)acetic acid (CID 59555011) is 2-(2,2,3-trimethyl-1,4-dioxo-1,3-thiazolidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2,2,3-trimethyl-1,4-dioxo-1,3-thiazolidin-5-yl)acetic acid?
The canonical SMILES for 2-(2,2,3-trimethyl-1,4-dioxo-1,3-thiazolidin-5-yl)acetic acid is CN1C(=O)C(CC(=O)O)S(=O)C1(C)C.
What is the InChIKey of 2-(2,2,3-trimethyl-1,4-dioxo-1,3-thiazolidin-5-yl)acetic acid?
The InChIKey is NJWHRHWLFXZCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4S/c1-8(2)9(3)7(12)5(14(8)13)4-6(10)11/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-(2,2,3-trimethyl-1,4-dioxo-1,3-thiazolidin-5-yl)acetic acid?
2-(2,2,3-trimethyl-1,4-dioxo-1,3-thiazolidin-5-yl)acetic acid has a molecular weight of 219.26 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3-trimethyl-1,4-dioxo-1,3-thiazolidin-5-yl)acetic acid is sourced from PubChem (CID 59555011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).