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

C11H13N3O5S — CID 107831780

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

2-hydroxy-4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (PubChem CID 107831780) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-hydroxy-4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.

Molecular Properties

• Compound Name: 2-hydroxy-4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
• PubChem CID: 107831780
• Molecular Formula: C11H13N3O5S
• Molecular Weight: 299.31 g/mol
• Exact Mass: 299.06
• IUPAC Name: 2-hydroxy-4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
• SMILES: O=C(NCCC(O)C(=O)O)c1cnc2n(c1=O)CCS2
• InChI: InChI=1S/C11H13N3O5S/c15-7(10(18)19)1-2-12-8(16)6-5-13-11-14(9(6)17)3-4-20-11/h5,7,15H,1-4H2,(H,12,16)(H,18,19)
• InChIKey: QYHVAXQVJSOTRC-UHFFFAOYSA-N
• XLogP: -1.09
• TPSA: 121.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.31
LogP ≤ 5	-1.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-hydroxy-4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (CID 107831780) is 2-hydroxy-4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.

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

The canonical SMILES for 2-hydroxy-4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is O=C(NCCC(O)C(=O)O)c1cnc2n(c1=O)CCS2.

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

The InChIKey is QYHVAXQVJSOTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c15-7(10(18)19)1-2-12-8(16)6-5-13-11-14(9(6)17)3-4-20-11/h5,7,15H,1-4H2,(H,12,16)(H,18,19).

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

2-hydroxy-4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid has a molecular weight of 299.31 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107831780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).