4-hydroxy-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid

C12H11N3O5S — CID 43356857

About 4-hydroxy-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43356857) has the molecular formula C12H11N3O5S and a molecular weight of 309.30 g/mol. Its IUPAC name is 4-hydroxy-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 4-hydroxy-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
• PubChem CID: 43356857
• Molecular Formula: C12H11N3O5S
• Molecular Weight: 309.30 g/mol
• Exact Mass: 309.04
• IUPAC Name: 4-hydroxy-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
• SMILES: O=C(O)C1CC(O)CN1C(=O)c1cnc2sccn2c1=O
• InChI: InChI=1S/C12H11N3O5S/c16-6-3-8(11(19)20)15(5-6)10(18)7-4-13-12-14(9(7)17)1-2-21-12/h1-2,4,6,8,16H,3,5H2,(H,19,20)
• InChIKey: VYDLINIRWDZMDE-UHFFFAOYSA-N
• XLogP: -0.58
• TPSA: 112.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.30
LogP ≤ 5	-0.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid?

The IUPAC name of 4-hydroxy-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid (CID 43356857) is 4-hydroxy-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid.

What is the SMILES notation for 4-hydroxy-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid?

The canonical SMILES for 4-hydroxy-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)c1cnc2sccn2c1=O.

What is the InChIKey of 4-hydroxy-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid?

The InChIKey is VYDLINIRWDZMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S/c16-6-3-8(11(19)20)15(5-6)10(18)7-4-13-12-14(9(7)17)1-2-21-12/h1-2,4,6,8,16H,3,5H2,(H,19,20).

What are the key properties of 4-hydroxy-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid?

4-hydroxy-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 309.30 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43356857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).