2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid

C12H13N3O4 — CID 61261892

About 2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid

2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid (PubChem CID 61261892) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid.

Molecular Properties

• Compound Name: 2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
• PubChem CID: 61261892
• Molecular Formula: C12H13N3O4
• Molecular Weight: 263.25 g/mol
• Exact Mass: 263.09
• IUPAC Name: 2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
• SMILES: Cc1noc2ncc(C(=O)NC(C)(C)C(=O)O)cc12
• InChI: InChI=1S/C12H13N3O4/c1-6-8-4-7(5-13-10(8)19-15-6)9(16)14-12(2,3)11(17)18/h4-5H,1-3H3,(H,14,16)(H,17,18)
• InChIKey: BPALWTXGTNBSBW-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 105.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.25
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid?

The IUPAC name of 2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid (CID 61261892) is 2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid.

What is the SMILES notation for 2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid?

The canonical SMILES for 2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid is Cc1noc2ncc(C(=O)NC(C)(C)C(=O)O)cc12.

What is the InChIKey of 2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid?

The InChIKey is BPALWTXGTNBSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-6-8-4-7(5-13-10(8)19-15-6)9(16)14-12(2,3)11(17)18/h4-5H,1-3H3,(H,14,16)(H,17,18).

What are the key properties of 2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid?

2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid has a molecular weight of 263.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61261892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).