2-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic acid

C10H12N4O3 — CID 55104967

IUPAC2-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic acid
SMILESCOCCC(Nc1nccnc1C#N)C(=O)O
InChIInChI=1S/C10H12N4O3/c1-17-5-2-7(10(15)16)14-9-8(6-11)12-3-4-13-9/h3-4,7H,2,5H2,1H3,(H,13,14)(H,15,16)
InChIKeySQSQKQWHHZKZCP-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.25
Rot. Bonds6

About 2-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic acid

2-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic acid (PubChem CID 55104967) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic acid
PubChem CID55104967
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name2-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic acid
SMILESCOCCC(Nc1nccnc1C#N)C(=O)O
InChIInChI=1S/C10H12N4O3/c1-17-5-2-7(10(15)16)14-9-8(6-11)12-3-4-13-9/h3-4,7H,2,5H2,1H3,(H,13,14)(H,15,16)
InChIKeySQSQKQWHHZKZCP-UHFFFAOYSA-N
XLogP0.25
TPSA108.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic 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-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic acid (CID 55104967) is 2-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic acid is COCCC(Nc1nccnc1C#N)C(=O)O.
What is the InChIKey of 2-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic acid?
The InChIKey is SQSQKQWHHZKZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-17-5-2-7(10(15)16)14-9-8(6-11)12-3-4-13-9/h3-4,7H,2,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic acid?
2-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic acid has a molecular weight of 236.23 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanopyrazin-2-yl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 55104967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).