3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic acid

C11H16N2O5 — CID 79940571

IUPAC3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CN1CC(=O)N2CCCC2C1=O)C(=O)O
InChIInChI=1S/C11H16N2O5/c1-11(18,10(16)17)6-12-5-8(14)13-4-2-3-7(13)9(12)15/h7,18H,2-6H2,1H3,(H,16,17)
InChIKeyGUPHLXBQRJNBAU-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.34
Rot. Bonds3

About 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic acid

3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic acid (PubChem CID 79940571) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic acid
PubChem CID79940571
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CN1CC(=O)N2CCCC2C1=O)C(=O)O
InChIInChI=1S/C11H16N2O5/c1-11(18,10(16)17)6-12-5-8(14)13-4-2-3-7(13)9(12)15/h7,18H,2-6H2,1H3,(H,16,17)
InChIKeyGUPHLXBQRJNBAU-UHFFFAOYSA-N
XLogP-1.34
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic 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-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic acid (CID 79940571) is 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic acid is CC(O)(CN1CC(=O)N2CCCC2C1=O)C(=O)O.
What is the InChIKey of 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is GUPHLXBQRJNBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-11(18,10(16)17)6-12-5-8(14)13-4-2-3-7(13)9(12)15/h7,18H,2-6H2,1H3,(H,16,17).
What are the key properties of 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic acid?
3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 256.26 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 79940571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).