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

C11H12N4O5 — CID 110485759

IUPAC3-hydroxy-2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(=O)n2[nH]cc(C(=O)NC(CO)C(=O)O)c2n1
InChIInChI=1S/C11H12N4O5/c1-5-2-8(17)15-9(13-5)6(3-12-15)10(18)14-7(4-16)11(19)20/h2-3,7,12,16H,4H2,1H3,(H,14,18)(H,19,20)
InChIKeyOBLRUYZSSGHQSZ-UHFFFAOYSA-N
MW280.24 g/mol
LogP-1.49
Rot. Bonds4

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

3-hydroxy-2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid (PubChem CID 110485759) has the molecular formula C11H12N4O5 and a molecular weight of 280.24 g/mol. Its IUPAC name is 3-hydroxy-2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
PubChem CID110485759
Molecular FormulaC11H12N4O5
Molecular Weight280.24 g/mol
Exact Mass280.08
IUPAC Name3-hydroxy-2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(=O)n2[nH]cc(C(=O)NC(CO)C(=O)O)c2n1
InChIInChI=1S/C11H12N4O5/c1-5-2-8(17)15-9(13-5)6(3-12-15)10(18)14-7(4-16)11(19)20/h2-3,7,12,16H,4H2,1H3,(H,14,18)(H,19,20)
InChIKeyOBLRUYZSSGHQSZ-UHFFFAOYSA-N
XLogP-1.49
TPSA136.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid (CID 110485759) is 3-hydroxy-2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid is Cc1cc(=O)n2[nH]cc(C(=O)NC(CO)C(=O)O)c2n1.
What is the InChIKey of 3-hydroxy-2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The InChIKey is OBLRUYZSSGHQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5/c1-5-2-8(17)15-9(13-5)6(3-12-15)10(18)14-7(4-16)11(19)20/h2-3,7,12,16H,4H2,1H3,(H,14,18)(H,19,20).
What are the key properties of 3-hydroxy-2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
3-hydroxy-2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid has a molecular weight of 280.24 g/mol, XLogP of -1.49, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110485759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).