tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate

C14H21N3O3 — CID 71629755

IUPACtert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCc2cnccn2)C1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-7-4-12(9-17)19-10-11-8-15-5-6-16-11/h5-6,8,12H,4,7,9-10H2,1-3H3
InChIKeySROONPBJVFOHLM-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.00
Rot. Bonds3

About tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate

tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate (PubChem CID 71629755) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate
PubChem CID71629755
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCc2cnccn2)C1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-7-4-12(9-17)19-10-11-8-15-5-6-16-11/h5-6,8,12H,4,7,9-10H2,1-3H3
InChIKeySROONPBJVFOHLM-UHFFFAOYSA-N
XLogP2.00
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R)-3-(pyrazin-2-ylmethylamino)pyrrolidine-1-carboxylate
CID 71629492
tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate
CID 71633662
tert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate
CID 89148934
tert-butyl 3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 71647808
tert-butyl 3-[2-(pyrazin-2-ylmethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249133
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(pyrazin-2-ylmethyl)piperazine-2-carboxylic acid
CID 97173988
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
tert-butyl (3S)-3-[(pyrazin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97171199
tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 71647115
tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate
CID 97175835
tert-butyl (3S)-3-(iodomethoxy)pyrrolidine-1-carboxylate
CID 143226936

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate (CID 71629755) is tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCc2cnccn2)C1.
What is the InChIKey of tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate?
The InChIKey is SROONPBJVFOHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-7-4-12(9-17)19-10-11-8-15-5-6-16-11/h5-6,8,12H,4,7,9-10H2,1-3H3.
What are the key properties of tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate?
tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 71629755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).