2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid

C11H14N2O3 — CID 84687526

IUPAC2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid
SMILESCc1nc2n(c(=O)c1CC(=O)O)CCCC2
InChIInChI=1S/C11H14N2O3/c1-7-8(6-10(14)15)11(16)13-5-3-2-4-9(13)12-7/h2-6H2,1H3,(H,14,15)
InChIKeyUXCACNUXLWOLQH-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.52
Rot. Bonds2

About 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid

2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid (PubChem CID 84687526) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid
PubChem CID84687526
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid
SMILESCc1nc2n(c(=O)c1CC(=O)O)CCCC2
InChIInChI=1S/C11H14N2O3/c1-7-8(6-10(14)15)11(16)13-5-3-2-4-9(13)12-7/h2-6H2,1H3,(H,14,15)
InChIKeyUXCACNUXLWOLQH-UHFFFAOYSA-N
XLogP0.52
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid (CID 84687526) is 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid is Cc1nc2n(c(=O)c1CC(=O)O)CCCC2.
What is the InChIKey of 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid?
The InChIKey is UXCACNUXLWOLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-8(6-10(14)15)11(16)13-5-3-2-4-9(13)12-7/h2-6H2,1H3,(H,14,15).
What are the key properties of 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid?
2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid has a molecular weight of 222.24 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 84687526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).