3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid

C13H21N3O3 — CID 55155442

IUPAC3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid
SMILESCCN(c1nccn(C(C)C)c1=O)C(C)CC(=O)O
InChIInChI=1S/C13H21N3O3/c1-5-15(10(4)8-11(17)18)12-13(19)16(9(2)3)7-6-14-12/h6-7,9-10H,5,8H2,1-4H3,(H,17,18)
InChIKeyKIERIRNGPMJFJA-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.51
Rot. Bonds6

About 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid

3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid (PubChem CID 55155442) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid
PubChem CID55155442
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid
SMILESCCN(c1nccn(C(C)C)c1=O)C(C)CC(=O)O
InChIInChI=1S/C13H21N3O3/c1-5-15(10(4)8-11(17)18)12-13(19)16(9(2)3)7-6-14-12/h6-7,9-10H,5,8H2,1-4H3,(H,17,18)
InChIKeyKIERIRNGPMJFJA-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic 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-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid?
The IUPAC name of 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid (CID 55155442) is 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid is CCN(c1nccn(C(C)C)c1=O)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid?
The InChIKey is KIERIRNGPMJFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-15(10(4)8-11(17)18)12-13(19)16(9(2)3)7-6-14-12/h6-7,9-10H,5,8H2,1-4H3,(H,17,18).
What are the key properties of 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid?
3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid is sourced from PubChem (CID 55155442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).