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

C11H20N4O3 — CID 103397857

IUPACtert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC(N)=O)C1
InChIInChI=1S/C11H20N4O3/c1-11(2,3)18-10(17)15-5-4-13-9(7-15)14-6-8(12)16/h4-7H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyOXKICYHSRINQIH-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.29
Rot. Bonds2

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

tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397857) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397857
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Nametert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC(N)=O)C1
InChIInChI=1S/C11H20N4O3/c1-11(2,3)18-10(17)15-5-4-13-9(7-15)14-6-8(12)16/h4-7H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyOXKICYHSRINQIH-UHFFFAOYSA-N
XLogP-0.29
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate hydrochloride
CID 165910008
tert-butyl 6-(2,2,2-trifluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397878
tert-butyl 6-(2,2-difluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398288
tert-butyl 6-(2-fluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 130504171
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate
CID 136762902
2,2-Dimethyl-10-imino-3-oxa-5,8,11,14-tetraazatetradecane-4,7,13-trione
CID 533649
Acetamide, N-(2-amino-2-iminoethyl)-alpha-(t-butoxycarbonylamino)-
CID 567732
tert-butyl 6-amino-1-(N'-methylcarbamimidoyl)-3,5-dihydro-2H-pyrazin-1-ium-4-carboxylate
CID 142547128
tert-butyl N-ethyl-N-[2-methylimino-2-(propan-2-ylamino)ethyl]carbamate
CID 146385560
tert-butyl N-[2-(methyliminomethylamino)-2-oxoethyl]carbamate
CID 166495021
tert-butyl N-[2-(ethanimidoylamino)-2-oxoethyl]carbamate
CID 166686997
tert-butyl 2,3-dimethyl-5-oxo-4H-imidazol-3-ium-3-carboxylate
CID 174821083

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397857) is tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NCC(N)=O)C1.
What is the InChIKey of tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is OXKICYHSRINQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-11(2,3)18-10(17)15-5-4-13-9(7-15)14-6-8(12)16/h4-7H2,1-3H3,(H2,12,16)(H,13,14).
What are the key properties of tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 256.31 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).