2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid

C15H19N3O3 — CID 62820894

IUPAC2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
SMILESCc1cccn2c(=O)cc(CN(C)C(C)(C)C(=O)O)nc12
InChIInChI=1S/C15H19N3O3/c1-10-6-5-7-18-12(19)8-11(16-13(10)18)9-17(4)15(2,3)14(20)21/h5-8H,9H2,1-4H3,(H,20,21)
InChIKeyMYHQPBGITZVREP-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.30
Rot. Bonds4

About 2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid

2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid (PubChem CID 62820894) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
PubChem CID62820894
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
SMILESCc1cccn2c(=O)cc(CN(C)C(C)(C)C(=O)O)nc12
InChIInChI=1S/C15H19N3O3/c1-10-6-5-7-18-12(19)8-11(16-13(10)18)9-17(4)15(2,3)14(20)21/h5-8H,9H2,1-4H3,(H,20,21)
InChIKeyMYHQPBGITZVREP-UHFFFAOYSA-N
XLogP1.30
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic 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-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid (CID 62820894) is 2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid is Cc1cccn2c(=O)cc(CN(C)C(C)(C)C(=O)O)nc12.
What is the InChIKey of 2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid?
The InChIKey is MYHQPBGITZVREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-6-5-7-18-12(19)8-11(16-13(10)18)9-17(4)15(2,3)14(20)21/h5-8H,9H2,1-4H3,(H,20,21).
What are the key properties of 2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid?
2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid has a molecular weight of 289.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 62820894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).