3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid

C7H11NO4S — CID 11615393

IUPAC3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C7H11NO4S/c1-2-12-7(11)8-4-13-3-5(8)6(9)10/h5H,2-4H2,1H3,(H,9,10)
InChIKeyXBJWOGLKABXFJE-UHFFFAOYSA-N
MW205.23 g/mol
LogP0.60
Rot. Bonds2

About 3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid

3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 11615393) has the molecular formula C7H11NO4S and a molecular weight of 205.23 g/mol. Its IUPAC name is 3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID11615393
Molecular FormulaC7H11NO4S
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C7H11NO4S/c1-2-12-7(11)8-4-13-3-5(8)6(9)10/h5H,2-4H2,1H3,(H,9,10)
InChIKeyXBJWOGLKABXFJE-UHFFFAOYSA-N
XLogP0.60
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid (CID 11615393) is 3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid is CCOC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XBJWOGLKABXFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4S/c1-2-12-7(11)8-4-13-3-5(8)6(9)10/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 205.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 11615393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).