3-(8-ethyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid

C14H20N2O3 — CID 82624653

IUPAC3-(8-ethyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid
SMILESCCc1cc(=O)n2c(c1CCC(=O)O)N(C)CCC2
InChIInChI=1S/C14H20N2O3/c1-3-10-9-12(17)16-8-4-7-15(2)14(16)11(10)5-6-13(18)19/h9H,3-8H2,1-2H3,(H,18,19)
InChIKeyWSTFQPIILZECIO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.27
Rot. Bonds4

About 3-(8-ethyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid

3-(8-ethyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid (PubChem CID 82624653) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(8-ethyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid.

Molecular Properties

Compound Name3-(8-ethyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid
PubChem CID82624653
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(8-ethyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid
SMILESCCc1cc(=O)n2c(c1CCC(=O)O)N(C)CCC2
InChIInChI=1S/C14H20N2O3/c1-3-10-9-12(17)16-8-4-7-15(2)14(16)11(10)5-6-13(18)19/h9H,3-8H2,1-2H3,(H,18,19)
InChIKeyWSTFQPIILZECIO-UHFFFAOYSA-N
XLogP1.27
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-ethyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid?
The IUPAC name of 3-(8-ethyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid (CID 82624653) is 3-(8-ethyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid.
What is the SMILES notation for 3-(8-ethyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid?
The canonical SMILES for 3-(8-ethyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid is CCc1cc(=O)n2c(c1CCC(=O)O)N(C)CCC2.
What is the InChIKey of 3-(8-ethyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid?
The InChIKey is WSTFQPIILZECIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-10-9-12(17)16-8-4-7-15(2)14(16)11(10)5-6-13(18)19/h9H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 3-(8-ethyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid?
3-(8-ethyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-ethyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid is sourced from PubChem (CID 82624653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).