3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid

C11H12N2O4 — CID 10728494

IUPAC3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid
SMILESCN1C(=O)c2cccn2C(CCC(=O)O)C1=O
InChIInChI=1S/C11H12N2O4/c1-12-10(16)7-3-2-6-13(7)8(11(12)17)4-5-9(14)15/h2-3,6,8H,4-5H2,1H3,(H,14,15)
InChIKeyXYSGESXASWFULF-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.51
Rot. Bonds3

About 3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid

3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid (PubChem CID 10728494) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid
PubChem CID10728494
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid
SMILESCN1C(=O)c2cccn2C(CCC(=O)O)C1=O
InChIInChI=1S/C11H12N2O4/c1-12-10(16)7-3-2-6-13(7)8(11(12)17)4-5-9(14)15/h2-3,6,8H,4-5H2,1H3,(H,14,15)
InChIKeyXYSGESXASWFULF-UHFFFAOYSA-N
XLogP0.51
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)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 3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid?
The IUPAC name of 3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid (CID 10728494) is 3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid.
What is the SMILES notation for 3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid?
The canonical SMILES for 3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid is CN1C(=O)c2cccn2C(CCC(=O)O)C1=O.
What is the InChIKey of 3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid?
The InChIKey is XYSGESXASWFULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-12-10(16)7-3-2-6-13(7)8(11(12)17)4-5-9(14)15/h2-3,6,8H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid?
3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid has a molecular weight of 236.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid is sourced from PubChem (CID 10728494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).