3-(cyclohexanecarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid

C15H25NO3S — CID 24715121

IUPAC3-(cyclohexanecarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)CC1SCC(C(=O)O)N1C(=O)C1CCCCC1
InChIInChI=1S/C15H25NO3S/c1-10(2)8-13-16(12(9-20-13)15(18)19)14(17)11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3,(H,18,19)
InChIKeyCTGUANZCRVLDFB-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.97
Rot. Bonds4

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

3-(cyclohexanecarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 24715121) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-(cyclohexanecarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(cyclohexanecarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID24715121
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name3-(cyclohexanecarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)CC1SCC(C(=O)O)N1C(=O)C1CCCCC1
InChIInChI=1S/C15H25NO3S/c1-10(2)8-13-16(12(9-20-13)15(18)19)14(17)11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3,(H,18,19)
InChIKeyCTGUANZCRVLDFB-UHFFFAOYSA-N
XLogP2.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(cyclohexanecarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid (CID 24715121) is 3-(cyclohexanecarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(cyclohexanecarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(cyclohexanecarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid is CC(C)CC1SCC(C(=O)O)N1C(=O)C1CCCCC1.
What is the InChIKey of 3-(cyclohexanecarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CTGUANZCRVLDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-10(2)8-13-16(12(9-20-13)15(18)19)14(17)11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 3-(cyclohexanecarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid?
3-(cyclohexanecarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 299.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 24715121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).