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

C11H12N4O4 — CID 110485757

IUPAC3-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(=O)n2[nH]cc(C(=O)NCCC(=O)O)c2n1
InChIInChI=1S/C11H12N4O4/c1-6-4-8(16)15-10(14-6)7(5-13-15)11(19)12-3-2-9(17)18/h4-5,13H,2-3H2,1H3,(H,12,19)(H,17,18)
InChIKeyNPDKLOJLQRQZKL-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.46
Rot. Bonds4

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

3-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid (PubChem CID 110485757) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
PubChem CID110485757
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name3-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(=O)n2[nH]cc(C(=O)NCCC(=O)O)c2n1
InChIInChI=1S/C11H12N4O4/c1-6-4-8(16)15-10(14-6)7(5-13-15)11(19)12-3-2-9(17)18/h4-5,13H,2-3H2,1H3,(H,12,19)(H,17,18)
InChIKeyNPDKLOJLQRQZKL-UHFFFAOYSA-N
XLogP-0.46
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid (CID 110485757) is 3-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid is Cc1cc(=O)n2[nH]cc(C(=O)NCCC(=O)O)c2n1.
What is the InChIKey of 3-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The InChIKey is NPDKLOJLQRQZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-6-4-8(16)15-10(14-6)7(5-13-15)11(19)12-3-2-9(17)18/h4-5,13H,2-3H2,1H3,(H,12,19)(H,17,18).
What are the key properties of 3-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
3-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid has a molecular weight of 264.24 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110485757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).