4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid

C10H15N3O3 — CID 173173156

IUPAC4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid
SMILESCC(C)NC(=O)CN1C=CN(C(=O)O)C=C1
InChIInChI=1S/C10H15N3O3/c1-8(2)11-9(14)7-12-3-5-13(6-4-12)10(15)16/h3-6,8H,7H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyQZFJNVHDAQLLAS-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.75
Rot. Bonds3

About 4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid

4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid (PubChem CID 173173156) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid
PubChem CID173173156
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid
SMILESCC(C)NC(=O)CN1C=CN(C(=O)O)C=C1
InChIInChI=1S/C10H15N3O3/c1-8(2)11-9(14)7-12-3-5-13(6-4-12)10(15)16/h3-6,8H,7H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyQZFJNVHDAQLLAS-UHFFFAOYSA-N
XLogP0.75
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic 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 4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid?
The IUPAC name of 4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid (CID 173173156) is 4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid?
The canonical SMILES for 4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid is CC(C)NC(=O)CN1C=CN(C(=O)O)C=C1.
What is the InChIKey of 4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid?
The InChIKey is QZFJNVHDAQLLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-8(2)11-9(14)7-12-3-5-13(6-4-12)10(15)16/h3-6,8H,7H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid?
4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid is sourced from PubChem (CID 173173156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).