3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid

C14H19N3O3S — CID 60838987

About 3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid

3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid (PubChem CID 60838987) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid.

Molecular Properties

• Compound Name: 3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid
• PubChem CID: 60838987
• Molecular Formula: C14H19N3O3S
• Molecular Weight: 309.39 g/mol
• Exact Mass: 309.11
• IUPAC Name: 3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid
• SMILES: Cc1csc2nc(CN(CCC(=O)O)C(C)C)cc(=O)n12
• InChI: InChI=1S/C14H19N3O3S/c1-9(2)16(5-4-13(19)20)7-11-6-12(18)17-10(3)8-21-14(17)15-11/h6,8-9H,4-5,7H2,1-3H3,(H,19,20)
• InChIKey: QTYQJMMHCZMHNH-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 74.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.39
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid?

The IUPAC name of 3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid (CID 60838987) is 3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid.

What is the SMILES notation for 3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid?

The canonical SMILES for 3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid is Cc1csc2nc(CN(CCC(=O)O)C(C)C)cc(=O)n12.

What is the InChIKey of 3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid?

The InChIKey is QTYQJMMHCZMHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9(2)16(5-4-13(19)20)7-11-6-12(18)17-10(3)8-21-14(17)15-11/h6,8-9H,4-5,7H2,1-3H3,(H,19,20).

What are the key properties of 3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid?

3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid has a molecular weight of 309.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 60838987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).