2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C11H19N3O4S — CID 83020424

IUPAC2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)NN1CCOCC1
InChIInChI=1S/C11H19N3O4S/c1-2-9-14(8(7-19-9)10(15)16)11(17)12-13-3-5-18-6-4-13/h8-9H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyGBRLERNQWGBSTR-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.18
Rot. Bonds3

About 2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 83020424) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID83020424
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)NN1CCOCC1
InChIInChI=1S/C11H19N3O4S/c1-2-9-14(8(7-19-9)10(15)16)11(17)12-13-3-5-18-6-4-13/h8-9H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyGBRLERNQWGBSTR-UHFFFAOYSA-N
XLogP0.18
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 83020424) is 2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)NN1CCOCC1.
What is the InChIKey of 2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GBRLERNQWGBSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-2-9-14(8(7-19-9)10(15)16)11(17)12-13-3-5-18-6-4-13/h8-9H,2-7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 83020424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).