ethyl 2-(azetidin-3-yl)acetate;hydrochloride

C7H14ClNO2 — CID 68918907

IUPACethyl 2-(azetidin-3-yl)acetate;hydrochloride
SMILESCCOC(=O)CC1CNC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-2-10-7(9)3-6-4-8-5-6;/h6,8H,2-5H2,1H3;1H
InChIKeyKWCSLGGXQPNKCC-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.58
Rot. Bonds3

About ethyl 2-(azetidin-3-yl)acetate;hydrochloride

ethyl 2-(azetidin-3-yl)acetate;hydrochloride (PubChem CID 68918907) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is ethyl 2-(azetidin-3-yl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(azetidin-3-yl)acetate;hydrochloride
PubChem CID68918907
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Nameethyl 2-(azetidin-3-yl)acetate;hydrochloride
SMILESCCOC(=O)CC1CNC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-2-10-7(9)3-6-4-8-5-6;/h6,8H,2-5H2,1H3;1H
InChIKeyKWCSLGGXQPNKCC-UHFFFAOYSA-N
XLogP0.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(azetidin-3-yl)-2-fluoroacetate hydrochloride
CID 119032071
Methyl 2-(3-methylazetidin-3-yl)acetate hydrochloride
CID 165997206
Ethyl 2-(3-fluoroazetidin-3-yl)acetate hydrochloride
CID 167733538
Ethyl 4-(methylamino)butanoate
CID 14177892
Ethyl 2-(azetidin-3-yl)-2-fluoroacetate
CID 119032072
Methyl 2-(3-fluoroazetidin-3-yl)acetate
CID 115011709
Ethyl 2-(3-fluoroazetidin-3-yl)acetate
CID 115012627
ethyl (2S)-2-(azetidin-3-yl)-2-fluoroacetate
CID 124710137
ethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate
CID 124710138
Methyl 2-(azetidin-3-yl)-2-fluoroacetate
CID 131343495
Ethyl 4-(methylamino)butanoate hydrochloride
CID 14177893
2-(2-Oxoazetidin-3-yl)ethyl acetate
CID 19993992

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(azetidin-3-yl)acetate;hydrochloride?
The IUPAC name of ethyl 2-(azetidin-3-yl)acetate;hydrochloride (CID 68918907) is ethyl 2-(azetidin-3-yl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(azetidin-3-yl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(azetidin-3-yl)acetate;hydrochloride is CCOC(=O)CC1CNC1.Cl.
What is the InChIKey of ethyl 2-(azetidin-3-yl)acetate;hydrochloride?
The InChIKey is KWCSLGGXQPNKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-2-10-7(9)3-6-4-8-5-6;/h6,8H,2-5H2,1H3;1H.
What are the key properties of ethyl 2-(azetidin-3-yl)acetate;hydrochloride?
ethyl 2-(azetidin-3-yl)acetate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(azetidin-3-yl)acetate;hydrochloride is sourced from PubChem (CID 68918907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).