2-tert-butyl-1,3-thiazolidine-4-carboxylic acid

C8H15NO2S — CID 3734985

IUPAC2-tert-butyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)(C)C1NC(C(=O)O)CS1
InChIInChI=1S/C8H15NO2S/c1-8(2,3)7-9-5(4-12-7)6(10)11/h5,7,9H,4H2,1-3H3,(H,10,11)
InChIKeyXCEINABKQJDSRC-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.15
Rot. Bonds1

About 2-tert-butyl-1,3-thiazolidine-4-carboxylic acid

2-tert-butyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 3734985) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-tert-butyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID3734985
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-tert-butyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)(C)C1NC(C(=O)O)CS1
InChIInChI=1S/C8H15NO2S/c1-8(2,3)7-9-5(4-12-7)6(10)11/h5,7,9H,4H2,1-3H3,(H,10,11)
InChIKeyXCEINABKQJDSRC-UHFFFAOYSA-N
XLogP1.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-tert-butyl-1,3-thiazolidine-4-carboxylic acid (CID 3734985) is 2-tert-butyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-tert-butyl-1,3-thiazolidine-4-carboxylic acid is CC(C)(C)C1NC(C(=O)O)CS1.
What is the InChIKey of 2-tert-butyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XCEINABKQJDSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-8(2,3)7-9-5(4-12-7)6(10)11/h5,7,9H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-tert-butyl-1,3-thiazolidine-4-carboxylic acid?
2-tert-butyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 189.28 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 3734985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).