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

C14H18N4O5 — CID 119188914

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

2-[2-methoxyethyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid (PubChem CID 119188914) has the molecular formula C14H18N4O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[2-methoxyethyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid
• PubChem CID: 119188914
• Molecular Formula: C14H18N4O5
• Molecular Weight: 322.32 g/mol
• Exact Mass: 322.13
• IUPAC Name: 2-[2-methoxyethyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid
• SMILES: COCCN(CC(=O)O)C(=O)Cc1c(C)nc2cc[nH]n2c1=O
• InChI: InChI=1S/C14H18N4O5/c1-9-10(14(22)18-11(16-9)3-4-15-18)7-12(19)17(5-6-23-2)8-13(20)21/h3-4,15H,5-8H2,1-2H3,(H,20,21)
• InChIKey: FSVJYJCDNJYSRN-UHFFFAOYSA-N
• XLogP: -0.57
• TPSA: 117.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.32
LogP ≤ 5	-0.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[2-methoxyethyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid (CID 119188914) is 2-[2-methoxyethyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid.

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

The canonical SMILES for 2-[2-methoxyethyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)Cc1c(C)nc2cc[nH]n2c1=O.

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

The InChIKey is FSVJYJCDNJYSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5/c1-9-10(14(22)18-11(16-9)3-4-15-18)7-12(19)17(5-6-23-2)8-13(20)21/h3-4,15H,5-8H2,1-2H3,(H,20,21).

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

2-[2-methoxyethyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid has a molecular weight of 322.32 g/mol, XLogP of -0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methoxyethyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119188914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).