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

C12H13N3O5S — CID 61152105

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

(2S)-4-hydroxy-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61152105) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S)-4-hydroxy-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
• PubChem CID: 61152105
• Molecular Formula: C12H13N3O5S
• Molecular Weight: 311.32 g/mol
• Exact Mass: 311.06
• IUPAC Name: (2S)-4-hydroxy-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
• SMILES: O=C(O)[C@@H]1CC(O)CN1C(=O)c1cnc2n(c1=O)CCS2
• InChI: InChI=1S/C12H13N3O5S/c16-6-3-8(11(19)20)15(5-6)10(18)7-4-13-12-14(9(7)17)1-2-21-12/h4,6,8,16H,1-3,5H2,(H,19,20)/t6?,8-/m0/s1
• InChIKey: DIOPFSPRACEUSJ-XDKWHASVSA-N
• XLogP: -0.99
• TPSA: 112.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.32
LogP ≤ 5	-0.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2S)-4-hydroxy-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid (CID 61152105) is (2S)-4-hydroxy-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid.

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

The canonical SMILES for (2S)-4-hydroxy-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1C(=O)c1cnc2n(c1=O)CCS2.

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

The InChIKey is DIOPFSPRACEUSJ-XDKWHASVSA-N. The full InChI is InChI=1S/C12H13N3O5S/c16-6-3-8(11(19)20)15(5-6)10(18)7-4-13-12-14(9(7)17)1-2-21-12/h4,6,8,16H,1-3,5H2,(H,19,20)/t6?,8-/m0/s1.

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

(2S)-4-hydroxy-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 311.32 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-hydroxy-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61152105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).