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

C16H28N4O3 — CID 103398330

IUPACtert-butyl 6-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(NC1=NCCN(C(=O)OC(C)(C)C)C1)C(=O)N1CCCC1
InChIInChI=1S/C16H28N4O3/c1-12(14(21)19-8-5-6-9-19)18-13-11-20(10-7-17-13)15(22)23-16(2,3)4/h12H,5-11H2,1-4H3,(H,17,18)
InChIKeyFYHPVVVWSSNQFM-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.24
Rot. Bonds2

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

tert-butyl 6-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398330) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is tert-butyl 6-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398330
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Nametert-butyl 6-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(NC1=NCCN(C(=O)OC(C)(C)C)C1)C(=O)N1CCCC1
InChIInChI=1S/C16H28N4O3/c1-12(14(21)19-8-5-6-9-19)18-13-11-20(10-7-17-13)15(22)23-16(2,3)4/h12H,5-11H2,1-4H3,(H,17,18)
InChIKeyFYHPVVVWSSNQFM-UHFFFAOYSA-N
XLogP1.24
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

tert-butyl N-[(2S)-3-methyl-1-[(2S)-2-(N'-methylcarbamimidoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 129144344
tert-butyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 142572844
tert-butyl N-[(2S)-1-[(2S)-2-(N'-ethylcarbamimidoyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 144634184
tert-butyl (2S)-2-[N-[(2R)-butan-2-yl]-N'-ethylcarbamimidoyl]pyrrolidine-1-carboxylate
CID 163739249
Tert-butyl 2-carbamoyl-3-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 163781550
tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397857
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-(ethylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397937
tert-butyl 6-[[2-oxo-2-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397938

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398330) is tert-butyl 6-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(NC1=NCCN(C(=O)OC(C)(C)C)C1)C(=O)N1CCCC1.
What is the InChIKey of tert-butyl 6-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is FYHPVVVWSSNQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-12(14(21)19-8-5-6-9-19)18-13-11-20(10-7-17-13)15(22)23-16(2,3)4/h12H,5-11H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl 6-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 324.43 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).