EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FQC884B2Q4
EPA CompTox	DTXSID6068773

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FQC884B2Q4

EPA CompTox

DTXSID6068773


InChI Key	QCQXVTVJGLHITJ-UHFFFAOYSA-N
Smiles	CNC(=O)OCCOC(=O)C=C
InChI	InChI=1S/C7H11NO4/c1-3-6(9)11-4-5-12-7(10)8-2/h3H,1,4-5H2,2H3,(H,8,10)

InChI Key

QCQXVTVJGLHITJ-UHFFFAOYSA-N

Smiles

CNC(=O)OCCOC(=O)C=C

InChI

InChI=1S/C7H11NO4/c1-3-6(9)11-4-5-12-7(10)8-2/h3H,1,4-5H2,2H3,(H,8,10)

Property Name	Value
Molecular Formula	C7H11N1O4
Molecular Weight	173.07
AlogP	0.28
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	68.12
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C7H11N1O4

Molecular Weight

173.07

AlogP

0.28

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

68.12

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	52607-81-5
NORMAN SUSDAT
FDA SRS	FQC884B2Q4
PubChem	93279
ChemSpider	84211.0

Resources

Reference

CAS NUMBER

52607-81-5

NORMAN SUSDAT

FDA SRS

FQC884B2Q4

PubChem

93279

ChemSpider

84211.0

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

METHYLCARBAMOYLOXYETHYL ACRYLATE

Structure

Physicochemical Descriptors

Cross References