EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
EPA CompTox	DTXSID50218153

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

EPA CompTox

DTXSID50218153


InChI Key	FGHPASKEBZJZAV-UHFFFAOYSA-M
Smiles	OS(=O)(=O)[O-].CC(=C)C(=O)OCC=[N+](C)C
InChI	InChI=1S/C8H14NO2/c1-7(2)8(10)11-6-5-9(3)4/h5H,1,6H2,2-4H3/q+1

InChI Key

FGHPASKEBZJZAV-UHFFFAOYSA-M

Smiles

OS(=O)(=O)[O-].CC(=C)C(=O)OCC=[N+](C)C

InChI

InChI=1S/C8H14NO2/c1-7(2)8(10)11-6-5-9(3)4/h5H,1,6H2,2-4H3/q+1

Property Name	Value
Molecular Formula	C8H14N1O2
Molecular Weight	156.1
AlogP	0.45
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	29.31
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H14N1O2

Molecular Weight

156.1

AlogP

0.45

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

29.31

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	67939-26-8
NORMAN SUSDAT
PubChem	91996988
ChemSpider	21162541.0

Resources

Reference

CAS NUMBER

67939-26-8

NORMAN SUSDAT

PubChem

91996988

ChemSpider

21162541.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

(2-(METHACRYLOYLOXY)ETHYL)DIMETHYLAMMONIUM HYDROGEN SULPHATE

Structure

Physicochemical Descriptors

Cross References