3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid

C9H15NO3S — CID 19823286

IUPAC3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)(C)C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C9H15NO3S/c1-9(2,3)8(13)10-5-14-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyQBOICUCFKNPNND-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.02
Rot. Bonds1

About 3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid

3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 19823286) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID19823286
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)(C)C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C9H15NO3S/c1-9(2,3)8(13)10-5-14-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyQBOICUCFKNPNND-UHFFFAOYSA-N
XLogP1.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 19823286) is 3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid is CC(C)(C)C(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QBOICUCFKNPNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-9(2,3)8(13)10-5-14-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 217.29 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 19823286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).