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

C12H13N3O3 — CID 43465845

IUPAC2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid
SMILESCc1cccn2c(=O)cc(CNCC(=O)O)nc12
InChIInChI=1S/C12H13N3O3/c1-8-3-2-4-15-10(16)5-9(14-12(8)15)6-13-7-11(17)18/h2-5,13H,6-7H2,1H3,(H,17,18)
InChIKeyXQFBNBOBKUGQKZ-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.18
Rot. Bonds4

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

2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid (PubChem CID 43465845) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid
PubChem CID43465845
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid
SMILESCc1cccn2c(=O)cc(CNCC(=O)O)nc12
InChIInChI=1S/C12H13N3O3/c1-8-3-2-4-15-10(16)5-9(14-12(8)15)6-13-7-11(17)18/h2-5,13H,6-7H2,1H3,(H,17,18)
InChIKeyXQFBNBOBKUGQKZ-UHFFFAOYSA-N
XLogP0.18
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]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-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid?
The IUPAC name of 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid (CID 43465845) is 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid is Cc1cccn2c(=O)cc(CNCC(=O)O)nc12.
What is the InChIKey of 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid?
The InChIKey is XQFBNBOBKUGQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8-3-2-4-15-10(16)5-9(14-12(8)15)6-13-7-11(17)18/h2-5,13H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid?
2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid is sourced from PubChem (CID 43465845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).