3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C11H18N2O4S — CID 63707583

IUPAC3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)NCC1CCOCC1
InChIInChI=1S/C11H18N2O4S/c14-10(15)9-6-18-7-13(9)11(16)12-5-8-1-3-17-4-2-8/h8-9H,1-7H2,(H,12,16)(H,14,15)
InChIKeyCKDACYLHMJEJFN-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.58
Rot. Bonds3

About 3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63707583) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63707583
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)NCC1CCOCC1
InChIInChI=1S/C11H18N2O4S/c14-10(15)9-6-18-7-13(9)11(16)12-5-8-1-3-17-4-2-8/h8-9H,1-7H2,(H,12,16)(H,14,15)
InChIKeyCKDACYLHMJEJFN-UHFFFAOYSA-N
XLogP0.58
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63707583) is 3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)NCC1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CKDACYLHMJEJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c14-10(15)9-6-18-7-13(9)11(16)12-5-8-1-3-17-4-2-8/h8-9H,1-7H2,(H,12,16)(H,14,15).
What are the key properties of 3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 274.34 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63707583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).