3-[2-[acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid

C11H18N2O4S — CID 55235127

IUPAC3-[2-[acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)CN(C)C(C)=O
InChIInChI=1S/C11H18N2O4S/c1-4-10-13(8(6-18-10)11(16)17)9(15)5-12(3)7(2)14/h8,10H,4-6H2,1-3H3,(H,16,17)
InChIKeyMHXCGJBZLKHXMZ-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.23
Rot. Bonds4

About 3-[2-[acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid

3-[2-[acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235127) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-[2-[acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235127
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name3-[2-[acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)CN(C)C(C)=O
InChIInChI=1S/C11H18N2O4S/c1-4-10-13(8(6-18-10)11(16)17)9(15)5-12(3)7(2)14/h8,10H,4-6H2,1-3H3,(H,16,17)
InChIKeyMHXCGJBZLKHXMZ-UHFFFAOYSA-N
XLogP0.23
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-[acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid (CID 55235127) is 3-[2-[acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-[acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)CN(C)C(C)=O.
What is the InChIKey of 3-[2-[acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MHXCGJBZLKHXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-4-10-13(8(6-18-10)11(16)17)9(15)5-12(3)7(2)14/h8,10H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 3-[2-[acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
3-[2-[acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 274.34 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).