propan-2-yl 2-(azetidin-3-yloxy)acetate

C8H15NO3 — CID 106939880

IUPACpropan-2-yl 2-(azetidin-3-yloxy)acetate
SMILESCC(C)OC(=O)COC1CNC1
InChIInChI=1S/C8H15NO3/c1-6(2)12-8(10)5-11-7-3-9-4-7/h6-7,9H,3-5H2,1-2H3
InChIKeyAJFCDJNSFCNGSO-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.07
Rot. Bonds4

About propan-2-yl 2-(azetidin-3-yloxy)acetate

propan-2-yl 2-(azetidin-3-yloxy)acetate (PubChem CID 106939880) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is propan-2-yl 2-(azetidin-3-yloxy)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(azetidin-3-yloxy)acetate
PubChem CID106939880
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namepropan-2-yl 2-(azetidin-3-yloxy)acetate
SMILESCC(C)OC(=O)COC1CNC1
InChIInChI=1S/C8H15NO3/c1-6(2)12-8(10)5-11-7-3-9-4-7/h6-7,9H,3-5H2,1-2H3
InChIKeyAJFCDJNSFCNGSO-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Azetidin-3-yl acetate hydrochloride
CID 21963952
Methyl 2-(azetidin-3-yloxy)acetate hydrochloride
CID 138040834
Tert-butyl 2-(azetidin-3-yloxy)acetate hydrochloride
CID 156026360
Azetidin-3-yl acetate
CID 21963953
3-Azetidinyl propionate
CID 53409716
Tert-butyl 2-(azetidin-3-yloxy)acetate
CID 53419975
(R)-2-(Azetidin-3-yloxy)propionic acid methyl ester trifluoroacetic acid salt
CID 66742601
Ethyl 2-(azetidin-3-yloxy)acetate;2,2,2-trifluoroacetic acid
CID 169711815
Methyl 2-(azetidin-3-yloxy)acetate
CID 84049920
Ethyl 2-(azetidin-3-yloxy)acetate HCl
CID 156026590
2-(Methylamino)ethyl methoxyacetate
CID 23093561
Ethyl 2-(azetidin-3-yloxy)acetate
CID 53419428

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(azetidin-3-yloxy)acetate?
The IUPAC name of propan-2-yl 2-(azetidin-3-yloxy)acetate (CID 106939880) is propan-2-yl 2-(azetidin-3-yloxy)acetate.
What is the SMILES notation for propan-2-yl 2-(azetidin-3-yloxy)acetate?
The canonical SMILES for propan-2-yl 2-(azetidin-3-yloxy)acetate is CC(C)OC(=O)COC1CNC1.
What is the InChIKey of propan-2-yl 2-(azetidin-3-yloxy)acetate?
The InChIKey is AJFCDJNSFCNGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)12-8(10)5-11-7-3-9-4-7/h6-7,9H,3-5H2,1-2H3.
What are the key properties of propan-2-yl 2-(azetidin-3-yloxy)acetate?
propan-2-yl 2-(azetidin-3-yloxy)acetate has a molecular weight of 173.21 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(azetidin-3-yloxy)acetate is sourced from PubChem (CID 106939880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).