2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid

C14H16N4O4 — CID 119202580

About 2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid

2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid (PubChem CID 119202580) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid
• PubChem CID: 119202580
• Molecular Formula: C14H16N4O4
• Molecular Weight: 304.31 g/mol
• Exact Mass: 304.12
• IUPAC Name: 2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid
• SMILES: CC(C(=O)O)N(C(=O)Cn1nc2ccccn2c1=O)C1CC1
• InChI: InChI=1S/C14H16N4O4/c1-9(13(20)21)18(10-5-6-10)12(19)8-17-14(22)16-7-3-2-4-11(16)15-17/h2-4,7,9-10H,5-6,8H2,1H3,(H,20,21)
• InChIKey: FJESMKDMVPECJL-UHFFFAOYSA-N
• XLogP: -0.04
• TPSA: 96.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.31
LogP ≤ 5	-0.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid?

The IUPAC name of 2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid (CID 119202580) is 2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid.

What is the SMILES notation for 2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid?

The canonical SMILES for 2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)Cn1nc2ccccn2c1=O)C1CC1.

What is the InChIKey of 2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid?

The InChIKey is FJESMKDMVPECJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-9(13(20)21)18(10-5-6-10)12(19)8-17-14(22)16-7-3-2-4-11(16)15-17/h2-4,7,9-10H,5-6,8H2,1H3,(H,20,21).

What are the key properties of 2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid?

2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid has a molecular weight of 304.31 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119202580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).