2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid

C8H15NO2S — CID 43312494

IUPAC2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(C)C1NC(C(=O)O)CS1
InChIInChI=1S/C8H15NO2S/c1-3-5(2)7-9-6(4-12-7)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyVFUSLWYDMLQHQH-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.15
Rot. Bonds3

About 2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid

2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43312494) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID43312494
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(C)C1NC(C(=O)O)CS1
InChIInChI=1S/C8H15NO2S/c1-3-5(2)7-9-6(4-12-7)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyVFUSLWYDMLQHQH-UHFFFAOYSA-N
XLogP1.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

2-Carboxythiazolidine-4-carboxylic acid
CID 72150
(4R)-2,2-Dimethyl-4-thiazolidinecarboxylic Acid
CID 676443
2-Hexyl-4-thiazolidinecarboxylic acid
CID 583513
5,5-dimethylthiazolidine-4-carboxylic acid, (R)-
CID 5715192
2,2-Dimethylthiazolidine-4-carboxylic acid hydrochloride
CID 419715
2-Butyl-1,3-thiazolidine-4-carboxylic acid
CID 3132640
5,5-Dimethyl-4-thiazolidinecarboxylic acid
CID 85822
2-Pentyl-1,3-thiazolidine-4-carboxylic acid
CID 432027
2-Methylthiazolidine-4-carboxylic acid
CID 160736
4-Thiazolidinecarboxylic acid, 2-ethyl-
CID 98344
Thiazolidinecarboxylic acid, 2-ethyl-
CID 198462
2,2,5,5-Tetramethylthiazolidine-4-carboxylic acid hydrochloride
CID 3015648

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 43312494) is 2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid is CCC(C)C1NC(C(=O)O)CS1.
What is the InChIKey of 2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VFUSLWYDMLQHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-3-5(2)7-9-6(4-12-7)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid?
2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 189.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43312494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).