4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid

C13H19N3O3 — CID 66247498

IUPAC4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(C)c1cnccn1)C1COCC1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-3-16(9(2)11-6-14-4-5-15-11)12-8-19-7-10(12)13(17)18/h4-6,9-10,12H,3,7-8H2,1-2H3,(H,17,18)
InChIKeySPEPIFYNUMSDPA-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.96
Rot. Bonds5

About 4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid

4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid (PubChem CID 66247498) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
PubChem CID66247498
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(C)c1cnccn1)C1COCC1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-3-16(9(2)11-6-14-4-5-15-11)12-8-19-7-10(12)13(17)18/h4-6,9-10,12H,3,7-8H2,1-2H3,(H,17,18)
InChIKeySPEPIFYNUMSDPA-UHFFFAOYSA-N
XLogP0.96
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-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-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid (CID 66247498) is 4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid is CCN(C(C)c1cnccn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid?
The InChIKey is SPEPIFYNUMSDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-16(9(2)11-6-14-4-5-15-11)12-8-19-7-10(12)13(17)18/h4-6,9-10,12H,3,7-8H2,1-2H3,(H,17,18).
What are the key properties of 4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).