tert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate

C13H19N3O3 — CID 58043889

IUPACtert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2ccc(N)nc2)C1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)16-7-10(8-16)18-9-4-5-11(14)15-6-9/h4-6,10H,7-8H2,1-3H3,(H2,14,15)
InChIKeySADBSMVGYYAUPO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.66
Rot. Bonds2

About tert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate

tert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate (PubChem CID 58043889) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate
PubChem CID58043889
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nametert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2ccc(N)nc2)C1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)16-7-10(8-16)18-9-4-5-11(14)15-6-9/h4-6,10H,7-8H2,1-3H3,(H2,14,15)
InChIKeySADBSMVGYYAUPO-UHFFFAOYSA-N
XLogP1.66
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate (CID 58043889) is tert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(Oc2ccc(N)nc2)C1.
What is the InChIKey of tert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate?
The InChIKey is SADBSMVGYYAUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)16-7-10(8-16)18-9-4-5-11(14)15-6-9/h4-6,10H,7-8H2,1-3H3,(H2,14,15).
What are the key properties of tert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate?
tert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate is sourced from PubChem (CID 58043889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).