2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid

C11H11N3O5S — CID 63646465

About 2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid

2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (PubChem CID 63646465) has the molecular formula C11H11N3O5S and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
• PubChem CID: 63646465
• Molecular Formula: C11H11N3O5S
• Molecular Weight: 297.29 g/mol
• Exact Mass: 297.04
• IUPAC Name: 2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
• SMILES: O=C(O)CN(CC(=O)O)Cc1cc(=O)n2ccsc2n1
• InChI: InChI=1S/C11H11N3O5S/c15-8-3-7(12-11-14(8)1-2-20-11)4-13(5-9(16)17)6-10(18)19/h1-3H,4-6H2,(H,16,17)(H,18,19)
• InChIKey: GSNDVYYGQDMCED-UHFFFAOYSA-N
• XLogP: -0.27
• TPSA: 112.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.29
LogP ≤ 5	-0.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (CID 63646465) is 2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.

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

The canonical SMILES for 2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is O=C(O)CN(CC(=O)O)Cc1cc(=O)n2ccsc2n1.

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

The InChIKey is GSNDVYYGQDMCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S/c15-8-3-7(12-11-14(8)1-2-20-11)4-13(5-9(16)17)6-10(18)19/h1-3H,4-6H2,(H,16,17)(H,18,19).

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

2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid has a molecular weight of 297.29 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is sourced from PubChem (CID 63646465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).