tert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C15H26N4O3 — CID 103398322

IUPACtert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC(=O)N2CCCC2)C1
InChIInChI=1S/C15H26N4O3/c1-15(2,3)22-14(21)19-9-6-16-12(11-19)17-10-13(20)18-7-4-5-8-18/h4-11H2,1-3H3,(H,16,17)
InChIKeyKWSMVXGDLZICSF-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.85
Rot. Bonds2

About tert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398322) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398322
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nametert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC(=O)N2CCCC2)C1
InChIInChI=1S/C15H26N4O3/c1-15(2,3)22-14(21)19-9-6-16-12(11-19)17-10-13(20)18-7-4-5-8-18/h4-11H2,1-3H3,(H,16,17)
InChIKeyKWSMVXGDLZICSF-UHFFFAOYSA-N
XLogP0.85
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate with MolForge

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Related Compounds

Tert-butyl 2-carbamoyl-3-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 163781550
tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397845
tert-butyl 6-[2-(dimethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397855
tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397857
tert-butyl 6-[2-(diethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397860
tert-butyl 6-(butylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397869
tert-butyl 6-[3-(dimethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397890
tert-butyl 6-[(1-ethylpyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397891
tert-butyl 6-[[2-(methylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397910
tert-butyl 6-[[2-(dimethylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397911
tert-butyl 6-[(1-amino-1-oxopropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397931
tert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397934

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398322) is tert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NCC(=O)N2CCCC2)C1.
What is the InChIKey of tert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is KWSMVXGDLZICSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-15(2,3)22-14(21)19-9-6-16-12(11-19)17-10-13(20)18-7-4-5-8-18/h4-11H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).