4-amino-4-oxo-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid

C11H10N4O5S — CID 43357088

About 4-amino-4-oxo-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid

4-amino-4-oxo-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (PubChem CID 43357088) has the molecular formula C11H10N4O5S and a molecular weight of 310.29 g/mol. Its IUPAC name is 4-amino-4-oxo-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.

Molecular Properties

• Compound Name: 4-amino-4-oxo-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
• PubChem CID: 43357088
• Molecular Formula: C11H10N4O5S
• Molecular Weight: 310.29 g/mol
• Exact Mass: 310.04
• IUPAC Name: 4-amino-4-oxo-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
• SMILES: NC(=O)CC(NC(=O)c1cnc2sccn2c1=O)C(=O)O
• InChI: InChI=1S/C11H10N4O5S/c12-7(16)3-6(10(19)20)14-8(17)5-4-13-11-15(9(5)18)1-2-21-11/h1-2,4,6H,3H2,(H2,12,16)(H,14,17)(H,19,20)
• InChIKey: MAGBKMKFXUGPGU-UHFFFAOYSA-N
• XLogP: -1.19
• TPSA: 143.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.29
LogP ≤ 5	-1.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-amino-4-oxo-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (CID 43357088) is 4-amino-4-oxo-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.

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

The canonical SMILES for 4-amino-4-oxo-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is NC(=O)CC(NC(=O)c1cnc2sccn2c1=O)C(=O)O.

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

The InChIKey is MAGBKMKFXUGPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5S/c12-7(16)3-6(10(19)20)14-8(17)5-4-13-11-15(9(5)18)1-2-21-11/h1-2,4,6H,3H2,(H2,12,16)(H,14,17)(H,19,20).

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

4-amino-4-oxo-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid has a molecular weight of 310.29 g/mol, XLogP of -1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-4-oxo-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43357088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).