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

C13H15N3O4S — CID 78975761

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

(2R)-4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid (PubChem CID 78975761) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid.

Molecular Properties

• Compound Name: (2R)-4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
• PubChem CID: 78975761
• Molecular Formula: C13H15N3O4S
• Molecular Weight: 309.35 g/mol
• Exact Mass: 309.08
• IUPAC Name: (2R)-4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
• SMILES: CC(C)C[C@@H](NC(=O)c1cnc2sccn2c1=O)C(=O)O
• InChI: InChI=1S/C13H15N3O4S/c1-7(2)5-9(12(19)20)15-10(17)8-6-14-13-16(11(8)18)3-4-21-13/h3-4,6-7,9H,5H2,1-2H3,(H,15,17)(H,19,20)/t9-/m1/s1
• InChIKey: HZQMNWYCMYUADY-SECBINFHSA-N
• XLogP: 0.99
• TPSA: 100.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.35
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2R)-4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid (CID 78975761) is (2R)-4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid.

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

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

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

The InChIKey is HZQMNWYCMYUADY-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-7(2)5-9(12(19)20)15-10(17)8-6-14-13-16(11(8)18)3-4-21-13/h3-4,6-7,9H,5H2,1-2H3,(H,15,17)(H,19,20)/t9-/m1/s1.

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

(2R)-4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid has a molecular weight of 309.35 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 78975761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).