tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate

C13H19N3O3 — CID 18391695

IUPACtert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H]1COc1cnccn1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)16-7-4-10(16)9-18-11-8-14-5-6-15-11/h5-6,8,10H,4,7,9H2,1-3H3/t10-/m0/s1
InChIKeyHPYNJJXDGYWOFF-JTQLQIEISA-N
MW265.31 g/mol
LogP1.86
Rot. Bonds3

About tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate

tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate (PubChem CID 18391695) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate
PubChem CID18391695
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nametert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H]1COc1cnccn1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)16-7-4-10(16)9-18-11-8-14-5-6-15-11/h5-6,8,10H,4,7,9H2,1-3H3/t10-/m0/s1
InChIKeyHPYNJJXDGYWOFF-JTQLQIEISA-N
XLogP1.86
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate (CID 18391695) is tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H]1COc1cnccn1.
What is the InChIKey of tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate?
The InChIKey is HPYNJJXDGYWOFF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)16-7-4-10(16)9-18-11-8-14-5-6-15-11/h5-6,8,10H,4,7,9H2,1-3H3/t10-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate?
tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate is sourced from PubChem (CID 18391695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).