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

C15H18N4O4 — CID 119202309

IUPAC2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]propanoic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C15H18N4O4/c1-8-11(14(21)19-12(17-8)5-6-16-19)7-13(20)18(10-3-4-10)9(2)15(22)23/h5-6,9-10,16H,3-4,7H2,1-2H3,(H,22,23)
InChIKeyOBYNNBOZUQYTBP-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.34
Rot. Bonds5

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

2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]propanoic acid (PubChem CID 119202309) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]propanoic acid
PubChem CID119202309
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]propanoic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C15H18N4O4/c1-8-11(14(21)19-12(17-8)5-6-16-19)7-13(20)18(10-3-4-10)9(2)15(22)23/h5-6,9-10,16H,3-4,7H2,1-2H3,(H,22,23)
InChIKeyOBYNNBOZUQYTBP-UHFFFAOYSA-N
XLogP0.34
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]propanoic acid (CID 119202309) is 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]propanoic acid is Cc1nc2cc[nH]n2c(=O)c1CC(=O)N(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]propanoic acid?
The InChIKey is OBYNNBOZUQYTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-8-11(14(21)19-12(17-8)5-6-16-19)7-13(20)18(10-3-4-10)9(2)15(22)23/h5-6,9-10,16H,3-4,7H2,1-2H3,(H,22,23).
What are the key properties of 2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]propanoic acid?
2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]propanoic acid has a molecular weight of 318.33 g/mol, XLogP of 0.34, 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]propanoic acid is sourced from PubChem (CID 119202309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).