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

C13H15N3O3 — CID 43442546

IUPAC2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
SMILESCc1cccn2c(=O)cc(CN(C)CC(=O)O)nc12
InChIInChI=1S/C13H15N3O3/c1-9-4-3-5-16-11(17)6-10(14-13(9)16)7-15(2)8-12(18)19/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyXXYNUEULFQYTDN-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.52
Rot. Bonds4

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

2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid (PubChem CID 43442546) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
PubChem CID43442546
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
SMILESCc1cccn2c(=O)cc(CN(C)CC(=O)O)nc12
InChIInChI=1S/C13H15N3O3/c1-9-4-3-5-16-11(17)6-10(14-13(9)16)7-15(2)8-12(18)19/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyXXYNUEULFQYTDN-UHFFFAOYSA-N
XLogP0.52
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]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-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid (CID 43442546) is 2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid is Cc1cccn2c(=O)cc(CN(C)CC(=O)O)nc12.
What is the InChIKey of 2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
The InChIKey is XXYNUEULFQYTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9-4-3-5-16-11(17)6-10(14-13(9)16)7-15(2)8-12(18)19/h3-6H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid has a molecular weight of 261.28 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 43442546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).