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

C10H11N3O5S — CID 43171663

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

3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid (PubChem CID 43171663) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid.

Molecular Properties

• Compound Name: 3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
• PubChem CID: 43171663
• Molecular Formula: C10H11N3O5S
• Molecular Weight: 285.28 g/mol
• Exact Mass: 285.04
• IUPAC Name: 3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
• SMILES: O=C(NC(CO)C(=O)O)c1cnc2n(c1=O)CCS2
• InChI: InChI=1S/C10H11N3O5S/c14-4-6(9(17)18)12-7(15)5-3-11-10-13(8(5)16)1-2-19-10/h3,6,14H,1-2,4H2,(H,12,15)(H,17,18)
• InChIKey: GOFJYFGGSDGVNF-UHFFFAOYSA-N
• XLogP: -1.48
• TPSA: 121.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.28
LogP ≤ 5	-1.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid (CID 43171663) is 3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid.

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

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

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

The InChIKey is GOFJYFGGSDGVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c14-4-6(9(17)18)12-7(15)5-3-11-10-13(8(5)16)1-2-19-10/h3,6,14H,1-2,4H2,(H,12,15)(H,17,18).

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

3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid has a molecular weight of 285.28 g/mol, XLogP of -1.48, 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-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43171663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).