2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid

C14H16N4O4 — CID 119194607

About 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid

2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid (PubChem CID 119194607) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid
• PubChem CID: 119194607
• Molecular Formula: C14H16N4O4
• Molecular Weight: 304.31 g/mol
• Exact Mass: 304.12
• IUPAC Name: 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid
• SMILES: Cc1nc2cc[nH]n2c(=O)c1CC(=O)N(CC(=O)O)C1CC1
• InChI: InChI=1S/C14H16N4O4/c1-8-10(14(22)18-11(16-8)4-5-15-18)6-12(19)17(7-13(20)21)9-2-3-9/h4-5,9,15H,2-3,6-7H2,1H3,(H,20,21)
• InChIKey: CTAOZPLIACPUHU-UHFFFAOYSA-N
• XLogP: -0.05
• TPSA: 107.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.31
LogP ≤ 5	-0.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid?

The IUPAC name of 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid (CID 119194607) is 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid.

What is the SMILES notation for 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid?

The canonical SMILES for 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid is Cc1nc2cc[nH]n2c(=O)c1CC(=O)N(CC(=O)O)C1CC1.

What is the InChIKey of 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid?

The InChIKey is CTAOZPLIACPUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-8-10(14(22)18-11(16-8)4-5-15-18)6-12(19)17(7-13(20)21)9-2-3-9/h4-5,9,15H,2-3,6-7H2,1H3,(H,20,21).

What are the key properties of 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid?

2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid has a molecular weight of 304.31 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119194607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).