3-hydroxy-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid

C11H11N3O5S — CID 43353674

About 3-hydroxy-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid

3-hydroxy-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (PubChem CID 43353674) has the molecular formula C11H11N3O5S and a molecular weight of 297.29 g/mol. Its IUPAC name is 3-hydroxy-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.

Molecular Properties

• Compound Name: 3-hydroxy-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
• PubChem CID: 43353674
• Molecular Formula: C11H11N3O5S
• Molecular Weight: 297.29 g/mol
• Exact Mass: 297.04
• IUPAC Name: 3-hydroxy-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
• SMILES: CC(O)C(NC(=O)c1cnc2sccn2c1=O)C(=O)O
• InChI: InChI=1S/C11H11N3O5S/c1-5(15)7(10(18)19)13-8(16)6-4-12-11-14(9(6)17)2-3-20-11/h2-5,7,15H,1H3,(H,13,16)(H,18,19)
• InChIKey: BVTGYQWRWNVZJW-UHFFFAOYSA-N
• XLogP: -0.68
• TPSA: 121.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.29
LogP ≤ 5	-0.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-hydroxy-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (CID 43353674) is 3-hydroxy-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.

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

The canonical SMILES for 3-hydroxy-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is CC(O)C(NC(=O)c1cnc2sccn2c1=O)C(=O)O.

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

The InChIKey is BVTGYQWRWNVZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S/c1-5(15)7(10(18)19)13-8(16)6-4-12-11-14(9(6)17)2-3-20-11/h2-5,7,15H,1H3,(H,13,16)(H,18,19).

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

3-hydroxy-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid has a molecular weight of 297.29 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43353674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).