tert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C13H23N3O4 — CID 103397944

IUPACtert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCOC(=O)CNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H23N3O4/c1-5-19-11(17)8-15-10-9-16(7-6-14-10)12(18)20-13(2,3)4/h5-9H2,1-4H3,(H,14,15)
InChIKeyIPGRTIMNHRYQLN-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.79
Rot. Bonds3

About tert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397944) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is tert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397944
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Nametert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCOC(=O)CNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H23N3O4/c1-5-19-11(17)8-15-10-9-16(7-6-14-10)12(18)20-13(2,3)4/h5-9H2,1-4H3,(H,14,15)
InChIKeyIPGRTIMNHRYQLN-UHFFFAOYSA-N
XLogP0.79
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate 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 tert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397944) is tert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CCOC(=O)CNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is IPGRTIMNHRYQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-5-19-11(17)8-15-10-9-16(7-6-14-10)12(18)20-13(2,3)4/h5-9H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(2-ethoxy-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).