tert-butyl 2-(azetidin-3-yloxy)acetate

C9H17NO3 — CID 53419975

IUPACtert-butyl 2-(azetidin-3-yloxy)acetate
SMILESCC(C)(C)OC(=O)COC1CNC1
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(11)6-12-7-4-10-5-7/h7,10H,4-6H2,1-3H3
InChIKeyRNKFZOZDIOOBEB-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds3

About tert-butyl 2-(azetidin-3-yloxy)acetate

tert-butyl 2-(azetidin-3-yloxy)acetate (PubChem CID 53419975) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is tert-butyl 2-(azetidin-3-yloxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(azetidin-3-yloxy)acetate
PubChem CID53419975
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametert-butyl 2-(azetidin-3-yloxy)acetate
SMILESCC(C)(C)OC(=O)COC1CNC1
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(11)6-12-7-4-10-5-7/h7,10H,4-6H2,1-3H3
InChIKeyRNKFZOZDIOOBEB-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(azetidin-3-yloxy)acetate?
The IUPAC name of tert-butyl 2-(azetidin-3-yloxy)acetate (CID 53419975) is tert-butyl 2-(azetidin-3-yloxy)acetate.
What is the SMILES notation for tert-butyl 2-(azetidin-3-yloxy)acetate?
The canonical SMILES for tert-butyl 2-(azetidin-3-yloxy)acetate is CC(C)(C)OC(=O)COC1CNC1.
What is the InChIKey of tert-butyl 2-(azetidin-3-yloxy)acetate?
The InChIKey is RNKFZOZDIOOBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)13-8(11)6-12-7-4-10-5-7/h7,10H,4-6H2,1-3H3.
What are the key properties of tert-butyl 2-(azetidin-3-yloxy)acetate?
tert-butyl 2-(azetidin-3-yloxy)acetate has a molecular weight of 187.24 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(azetidin-3-yloxy)acetate is sourced from PubChem (CID 53419975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).