3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid

C8H12N2O4S — CID 24702449

IUPAC3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)NCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C8H12N2O4S/c1-5(11)9-2-7(12)10-4-15-3-6(10)8(13)14/h6H,2-4H2,1H3,(H,9,11)(H,13,14)
InChIKeyILZGTJNOWPRYQI-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.89
Rot. Bonds3

About 3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid

3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 24702449) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID24702449
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Name3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)NCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C8H12N2O4S/c1-5(11)9-2-7(12)10-4-15-3-6(10)8(13)14/h6H,2-4H2,1H3,(H,9,11)(H,13,14)
InChIKeyILZGTJNOWPRYQI-UHFFFAOYSA-N
XLogP-0.89
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid (CID 24702449) is 3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid is CC(=O)NCC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ILZGTJNOWPRYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c1-5(11)9-2-7(12)10-4-15-3-6(10)8(13)14/h6H,2-4H2,1H3,(H,9,11)(H,13,14).
What are the key properties of 3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 232.26 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 24702449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).