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

C15H20N4O4 — CID 119191881

IUPAC2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)Cc1c(C)nc2cc[nH]n2c1=O)C(=O)O
InChIInChI=1S/C15H20N4O4/c1-4-6-15(3,14(22)23)18-12(20)8-10-9(2)17-11-5-7-16-19(11)13(10)21/h5,7,16H,4,6,8H2,1-3H3,(H,18,20)(H,22,23)
InChIKeySIFJSITYUATSQG-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.63
Rot. Bonds6

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

2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid (PubChem CID 119191881) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid
PubChem CID119191881
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)Cc1c(C)nc2cc[nH]n2c1=O)C(=O)O
InChIInChI=1S/C15H20N4O4/c1-4-6-15(3,14(22)23)18-12(20)8-10-9(2)17-11-5-7-16-19(11)13(10)21/h5,7,16H,4,6,8H2,1-3H3,(H,18,20)(H,22,23)
InChIKeySIFJSITYUATSQG-UHFFFAOYSA-N
XLogP0.63
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid (CID 119191881) is 2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid is CCCC(C)(NC(=O)Cc1c(C)nc2cc[nH]n2c1=O)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid?
The InChIKey is SIFJSITYUATSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-4-6-15(3,14(22)23)18-12(20)8-10-9(2)17-11-5-7-16-19(11)13(10)21/h5,7,16H,4,6,8H2,1-3H3,(H,18,20)(H,22,23).
What are the key properties of 2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid?
2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid has a molecular weight of 320.35 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119191881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).