methyl 2-(azetidin-3-yloxy)acetate;hydrochloride

C6H12ClNO3 — CID 138040834

IUPACmethyl 2-(azetidin-3-yloxy)acetate;hydrochloride
SMILESCOC(=O)COC1CNC1.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-9-6(8)4-10-5-2-7-3-5;/h5,7H,2-4H2,1H3;1H
InChIKeyBVGYZFUEJVLOHH-UHFFFAOYSA-N
MW181.62 g/mol
LogP-0.43
Rot. Bonds3

About methyl 2-(azetidin-3-yloxy)acetate;hydrochloride

methyl 2-(azetidin-3-yloxy)acetate;hydrochloride (PubChem CID 138040834) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is methyl 2-(azetidin-3-yloxy)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(azetidin-3-yloxy)acetate;hydrochloride
PubChem CID138040834
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Namemethyl 2-(azetidin-3-yloxy)acetate;hydrochloride
SMILESCOC(=O)COC1CNC1.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-9-6(8)4-10-5-2-7-3-5;/h5,7H,2-4H2,1H3;1H
InChIKeyBVGYZFUEJVLOHH-UHFFFAOYSA-N
XLogP-0.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(azetidin-3-yloxy)acetate;hydrochloride?
The IUPAC name of methyl 2-(azetidin-3-yloxy)acetate;hydrochloride (CID 138040834) is methyl 2-(azetidin-3-yloxy)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(azetidin-3-yloxy)acetate;hydrochloride?
The canonical SMILES for methyl 2-(azetidin-3-yloxy)acetate;hydrochloride is COC(=O)COC1CNC1.Cl.
What is the InChIKey of methyl 2-(azetidin-3-yloxy)acetate;hydrochloride?
The InChIKey is BVGYZFUEJVLOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c1-9-6(8)4-10-5-2-7-3-5;/h5,7H,2-4H2,1H3;1H.
What are the key properties of methyl 2-(azetidin-3-yloxy)acetate;hydrochloride?
methyl 2-(azetidin-3-yloxy)acetate;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(azetidin-3-yloxy)acetate;hydrochloride is sourced from PubChem (CID 138040834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).