EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Q6GPG8E9S4
EPA CompTox	DTXSID50234636

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Q6GPG8E9S4

EPA CompTox

DTXSID50234636


InChI Key	BBCPYOJPFVNCMM-UHFFFAOYSA-N
Smiles	CC(=C)C(=O)OCCOCCN1C(=O)C(=C(C)C1=O)C
InChI	InChI=1S/C14H19NO5/c1-9(2)14(18)20-8-7-19-6-5-15-12(16)10(3)11(4)13(15)17/h1,5-8H2,2-4H3

InChI Key

BBCPYOJPFVNCMM-UHFFFAOYSA-N

Smiles

CC(=C)C(=O)OCCOCCN1C(=O)C(=C(C)C1=O)C

InChI

InChI=1S/C14H19NO5/c1-9(2)14(18)20-8-7-19-6-5-15-12(16)10(3)11(4)13(15)17/h1,5-8H2,2-4H3

Property Name	Value
Molecular Formula	C14H19N1O5
Molecular Weight	281.13
AlogP	0.83
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	7.0
Polar Surface Area	72.91
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C14H19N1O5

Molecular Weight

281.13

AlogP

0.83

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

7.0

Polar Surface Area

72.91

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	85419-41-6
NORMAN SUSDAT
FDA SRS	Q6GPG8E9S4
PubChem	3020716
ChemSpider	2287532.0

Resources

Reference

CAS NUMBER

85419-41-6

NORMAN SUSDAT

FDA SRS

Q6GPG8E9S4

PubChem

3020716

ChemSpider

2287532.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

2-(2-(2,5-DIHYDRO-3,4-DIMETHYL-2,5-DIOXO-1H-PYRROL-1-YL)ETHOXY)ETHYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References