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

C11H14N2O3 — CID 115033242

IUPAC2-(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetic acid
SMILESCC1CCCc2nc(CC(=O)O)cc(=O)n21
InChIInChI=1S/C11H14N2O3/c1-7-3-2-4-9-12-8(6-11(15)16)5-10(14)13(7)9/h5,7H,2-4,6H2,1H3,(H,15,16)
InChIKeyFAWQCVTXXWRMJE-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.77
Rot. Bonds2

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

2-(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetic acid (PubChem CID 115033242) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetic acid
PubChem CID115033242
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetic acid
SMILESCC1CCCc2nc(CC(=O)O)cc(=O)n21
InChIInChI=1S/C11H14N2O3/c1-7-3-2-4-9-12-8(6-11(15)16)5-10(14)13(7)9/h5,7H,2-4,6H2,1H3,(H,15,16)
InChIKeyFAWQCVTXXWRMJE-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetic acid (CID 115033242) is 2-(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetic acid is CC1CCCc2nc(CC(=O)O)cc(=O)n21.
What is the InChIKey of 2-(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetic acid?
The InChIKey is FAWQCVTXXWRMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-3-2-4-9-12-8(6-11(15)16)5-10(14)13(7)9/h5,7H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 2-(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetic acid?
2-(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetic acid has a molecular weight of 222.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 115033242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).