2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C12H15NO5S — CID 55236298

About 2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55236298) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
• PubChem CID: 55236298
• Molecular Formula: C12H15NO5S
• Molecular Weight: 285.32 g/mol
• Exact Mass: 285.07
• IUPAC Name: 2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
• SMILES: O=C(O)C1CSC(C2CC2)N1C(=O)C1=COCCO1
• InChI: InChI=1S/C12H15NO5S/c14-10(9-5-17-3-4-18-9)13-8(12(15)16)6-19-11(13)7-1-2-7/h5,7-8,11H,1-4,6H2,(H,15,16)
• InChIKey: IJOWJXITHNVTRQ-UHFFFAOYSA-N
• XLogP: 0.64
• TPSA: 76.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.32
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?

The IUPAC name of 2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 55236298) is 2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

What is the SMILES notation for 2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?

The canonical SMILES for 2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C2CC2)N1C(=O)C1=COCCO1.

What is the InChIKey of 2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?

The InChIKey is IJOWJXITHNVTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c14-10(9-5-17-3-4-18-9)13-8(12(15)16)6-19-11(13)7-1-2-7/h5,7-8,11H,1-4,6H2,(H,15,16).

What are the key properties of 2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?

2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55236298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).