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

C15H22N2O3 — CID 82626599

IUPAC3-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid
SMILESCC(C)c1cc(=O)n2c(c1CCC(=O)O)N(C)CCC2
InChIInChI=1S/C15H22N2O3/c1-10(2)12-9-13(18)17-8-4-7-16(3)15(17)11(12)5-6-14(19)20/h9-10H,4-8H2,1-3H3,(H,19,20)
InChIKeyNVOAOTZHJHZMTO-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.83
Rot. Bonds4

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

3-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid (PubChem CID 82626599) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid
PubChem CID82626599
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid
SMILESCC(C)c1cc(=O)n2c(c1CCC(=O)O)N(C)CCC2
InChIInChI=1S/C15H22N2O3/c1-10(2)12-9-13(18)17-8-4-7-16(3)15(17)11(12)5-6-14(19)20/h9-10H,4-8H2,1-3H3,(H,19,20)
InChIKeyNVOAOTZHJHZMTO-UHFFFAOYSA-N
XLogP1.83
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid?
The IUPAC name of 3-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid (CID 82626599) is 3-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid.
What is the SMILES notation for 3-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid?
The canonical SMILES for 3-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid is CC(C)c1cc(=O)n2c(c1CCC(=O)O)N(C)CCC2.
What is the InChIKey of 3-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid?
The InChIKey is NVOAOTZHJHZMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)12-9-13(18)17-8-4-7-16(3)15(17)11(12)5-6-14(19)20/h9-10H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 3-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid?
3-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)propanoic acid is sourced from PubChem (CID 82626599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).