2-methyl-3-(oxan-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C11H18N2O4S — CID 63774317

IUPAC2-methyl-3-(oxan-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)NC1CCCOC1
InChIInChI=1S/C11H18N2O4S/c1-7-13(9(6-18-7)10(14)15)11(16)12-8-3-2-4-17-5-8/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyWOWTZXNYRJERBF-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.72
Rot. Bonds2

About 2-methyl-3-(oxan-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(oxan-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63774317) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-methyl-3-(oxan-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(oxan-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63774317
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-methyl-3-(oxan-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)NC1CCCOC1
InChIInChI=1S/C11H18N2O4S/c1-7-13(9(6-18-7)10(14)15)11(16)12-8-3-2-4-17-5-8/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyWOWTZXNYRJERBF-UHFFFAOYSA-N
XLogP0.72
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxan-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(oxan-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63774317) is 2-methyl-3-(oxan-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(oxan-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(oxan-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)NC1CCCOC1.
What is the InChIKey of 2-methyl-3-(oxan-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WOWTZXNYRJERBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-7-13(9(6-18-7)10(14)15)11(16)12-8-3-2-4-17-5-8/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-methyl-3-(oxan-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(oxan-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 274.34 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxan-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63774317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).