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

C10H10N2O4 — CID 10751487

IUPAC3-(1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid
SMILESO=C(O)CCC1C(=O)NC(=O)c2cccn21
InChIInChI=1S/C10H10N2O4/c13-8(14)4-3-7-10(16)11-9(15)6-2-1-5-12(6)7/h1-2,5,7H,3-4H2,(H,13,14)(H,11,15,16)
InChIKeyFWCGFZPCMXIJLO-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.16
Rot. Bonds3

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

3-(1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid (PubChem CID 10751487) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 3-(1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid
PubChem CID10751487
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name3-(1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid
SMILESO=C(O)CCC1C(=O)NC(=O)c2cccn21
InChIInChI=1S/C10H10N2O4/c13-8(14)4-3-7-10(16)11-9(15)6-2-1-5-12(6)7/h1-2,5,7H,3-4H2,(H,13,14)(H,11,15,16)
InChIKeyFWCGFZPCMXIJLO-UHFFFAOYSA-N
XLogP0.16
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(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-(1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid?
The IUPAC name of 3-(1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid (CID 10751487) is 3-(1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid.
What is the SMILES notation for 3-(1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid?
The canonical SMILES for 3-(1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid is O=C(O)CCC1C(=O)NC(=O)c2cccn21.
What is the InChIKey of 3-(1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid?
The InChIKey is FWCGFZPCMXIJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-8(14)4-3-7-10(16)11-9(15)6-2-1-5-12(6)7/h1-2,5,7H,3-4H2,(H,13,14)(H,11,15,16).
What are the key properties of 3-(1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid?
3-(1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid has a molecular weight of 222.20 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)propanoic acid is sourced from PubChem (CID 10751487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).