EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	QWI3C4ASI7
EPA CompTox	DTXSID20207635

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

QWI3C4ASI7

EPA CompTox

DTXSID20207635


InChI Key	VGEWEGHHYWGXGG-UHFFFAOYSA-N
Smiles	CCOC(=O)NO
InChI	InChI=1S/C3H7NO3/c1-2-7-3(5)4-6/h6H,2H2,1H3,(H,4,5)

InChI Key

VGEWEGHHYWGXGG-UHFFFAOYSA-N

Smiles

CCOC(=O)NO

InChI

InChI=1S/C3H7NO3/c1-2-7-3(5)4-6/h6H,2H2,1H3,(H,4,5)

Property Name	Value
Molecular Formula	C3H7N1O3
Molecular Weight	105.04
AlogP	0.33
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	62.05
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C3H7N1O3

Molecular Weight

105.04

AlogP

0.33

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

62.05

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	589-41-3
NORMAN SUSDAT
FDA SRS	QWI3C4ASI7
PubChem	11510
ChemSpider	11026.0

Resources

Reference

CAS NUMBER

589-41-3

NORMAN SUSDAT

FDA SRS

QWI3C4ASI7

PubChem

11510

ChemSpider

11026.0

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

N-HYDROXYURETHANE

Structure

Physicochemical Descriptors

Cross References