3-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl)propanoic acid

C11H13N3O3 — CID 81137683

IUPAC3-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl)propanoic acid
SMILESCc1ccc2c(n1)NC(CCC(=O)O)C(=O)N2
InChIInChI=1S/C11H13N3O3/c1-6-2-3-7-10(12-6)13-8(11(17)14-7)4-5-9(15)16/h2-3,8H,4-5H2,1H3,(H,12,13)(H,14,17)(H,15,16)
InChIKeyITZSQAVNEUUYPI-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.99
Rot. Bonds3

About 3-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl)propanoic acid

3-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl)propanoic acid (PubChem CID 81137683) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl)propanoic acid
PubChem CID81137683
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl)propanoic acid
SMILESCc1ccc2c(n1)NC(CCC(=O)O)C(=O)N2
InChIInChI=1S/C11H13N3O3/c1-6-2-3-7-10(12-6)13-8(11(17)14-7)4-5-9(15)16/h2-3,8H,4-5H2,1H3,(H,12,13)(H,14,17)(H,15,16)
InChIKeyITZSQAVNEUUYPI-UHFFFAOYSA-N
XLogP0.99
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-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-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl)propanoic acid?
The IUPAC name of 3-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl)propanoic acid (CID 81137683) is 3-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl)propanoic acid?
The canonical SMILES for 3-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl)propanoic acid is Cc1ccc2c(n1)NC(CCC(=O)O)C(=O)N2.
What is the InChIKey of 3-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl)propanoic acid?
The InChIKey is ITZSQAVNEUUYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6-2-3-7-10(12-6)13-8(11(17)14-7)4-5-9(15)16/h2-3,8H,4-5H2,1H3,(H,12,13)(H,14,17)(H,15,16).
What are the key properties of 3-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl)propanoic acid?
3-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl)propanoic acid has a molecular weight of 235.24 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl)propanoic acid is sourced from PubChem (CID 81137683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).