ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride

C9H17ClN2O3 — CID 162325939

IUPACethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride
SMILESCCOC(=O)COC1CCCN=C1N.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-2-13-8(12)6-14-7-4-3-5-11-9(7)10;/h7H,2-6H2,1H3,(H2,10,11);1H
InChIKeyWFPJLXKXEPZCOH-UHFFFAOYSA-N
MW236.70 g/mol
LogP0.51
Rot. Bonds4

About ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride

ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride (PubChem CID 162325939) has the molecular formula C9H17ClN2O3 and a molecular weight of 236.70 g/mol. Its IUPAC name is ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride
PubChem CID162325939
Molecular FormulaC9H17ClN2O3
Molecular Weight236.70 g/mol
Exact Mass236.09
IUPAC Nameethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride
SMILESCCOC(=O)COC1CCCN=C1N.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-2-13-8(12)6-14-7-4-3-5-11-9(7)10;/h7H,2-6H2,1H3,(H2,10,11);1H
InChIKeyWFPJLXKXEPZCOH-UHFFFAOYSA-N
XLogP0.51
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride?
The IUPAC name of ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride (CID 162325939) is ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride is CCOC(=O)COC1CCCN=C1N.Cl.
What is the InChIKey of ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride?
The InChIKey is WFPJLXKXEPZCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3.ClH/c1-2-13-8(12)6-14-7-4-3-5-11-9(7)10;/h7H,2-6H2,1H3,(H2,10,11);1H.
What are the key properties of ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride?
ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride is sourced from PubChem (CID 162325939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).