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

C8H15NO2S — CID 15706475

IUPAC2-(2,5,5-trimethyl-1,3-thiazolidin-4-yl)acetic acid
SMILESCC1NC(CC(=O)O)C(C)(C)S1
InChIInChI=1S/C8H15NO2S/c1-5-9-6(4-7(10)11)8(2,3)12-5/h5-6,9H,4H2,1-3H3,(H,10,11)
InChIKeyKGPACEMKKNYZRY-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.29
Rot. Bonds2

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

2-(2,5,5-trimethyl-1,3-thiazolidin-4-yl)acetic acid (PubChem CID 15706475) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-(2,5,5-trimethyl-1,3-thiazolidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2,5,5-trimethyl-1,3-thiazolidin-4-yl)acetic acid
PubChem CID15706475
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-(2,5,5-trimethyl-1,3-thiazolidin-4-yl)acetic acid
SMILESCC1NC(CC(=O)O)C(C)(C)S1
InChIInChI=1S/C8H15NO2S/c1-5-9-6(4-7(10)11)8(2,3)12-5/h5-6,9H,4H2,1-3H3,(H,10,11)
InChIKeyKGPACEMKKNYZRY-UHFFFAOYSA-N
XLogP1.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5,5-trimethyl-1,3-thiazolidin-4-yl)acetic acid?
The IUPAC name of 2-(2,5,5-trimethyl-1,3-thiazolidin-4-yl)acetic acid (CID 15706475) is 2-(2,5,5-trimethyl-1,3-thiazolidin-4-yl)acetic acid.
What is the SMILES notation for 2-(2,5,5-trimethyl-1,3-thiazolidin-4-yl)acetic acid?
The canonical SMILES for 2-(2,5,5-trimethyl-1,3-thiazolidin-4-yl)acetic acid is CC1NC(CC(=O)O)C(C)(C)S1.
What is the InChIKey of 2-(2,5,5-trimethyl-1,3-thiazolidin-4-yl)acetic acid?
The InChIKey is KGPACEMKKNYZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-5-9-6(4-7(10)11)8(2,3)12-5/h5-6,9H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-(2,5,5-trimethyl-1,3-thiazolidin-4-yl)acetic acid?
2-(2,5,5-trimethyl-1,3-thiazolidin-4-yl)acetic acid has a molecular weight of 189.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5,5-trimethyl-1,3-thiazolidin-4-yl)acetic acid is sourced from PubChem (CID 15706475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).