2-[methyl-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid

C11H12N4O4 — CID 110485758

IUPAC2-[methyl-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid
SMILESCc1cc(=O)n2[nH]cc(C(=O)N(C)CC(=O)O)c2n1
InChIInChI=1S/C11H12N4O4/c1-6-3-8(16)15-10(13-6)7(4-12-15)11(19)14(2)5-9(17)18/h3-4,12H,5H2,1-2H3,(H,17,18)
InChIKeyDHZKHMFIWURWAD-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.51
Rot. Bonds3

About 2-[methyl-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid

2-[methyl-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid (PubChem CID 110485758) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-[methyl-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid
PubChem CID110485758
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name2-[methyl-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid
SMILESCc1cc(=O)n2[nH]cc(C(=O)N(C)CC(=O)O)c2n1
InChIInChI=1S/C11H12N4O4/c1-6-3-8(16)15-10(13-6)7(4-12-15)11(19)14(2)5-9(17)18/h3-4,12H,5H2,1-2H3,(H,17,18)
InChIKeyDHZKHMFIWURWAD-UHFFFAOYSA-N
XLogP-0.51
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid (CID 110485758) is 2-[methyl-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid is Cc1cc(=O)n2[nH]cc(C(=O)N(C)CC(=O)O)c2n1.
What is the InChIKey of 2-[methyl-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid?
The InChIKey is DHZKHMFIWURWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-6-3-8(16)15-10(13-6)7(4-12-15)11(19)14(2)5-9(17)18/h3-4,12H,5H2,1-2H3,(H,17,18).
What are the key properties of 2-[methyl-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid?
2-[methyl-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid has a molecular weight of 264.24 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 110485758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).