EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z82WZA83NC
EPA CompTox	DTXSID60173941

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z82WZA83NC

EPA CompTox

DTXSID60173941


InChI Key	WRBIQTVRBWJCQT-UHFFFAOYSA-N
Smiles	CCOC(=O)CCN1CCOCC1
InChI	InChI=1S/C9H17NO3/c1-2-13-9(11)3-4-10-5-7-12-8-6-10/h2-8H2,1H3

InChI Key

WRBIQTVRBWJCQT-UHFFFAOYSA-N

Smiles

CCOC(=O)CCN1CCOCC1

InChI

InChI=1S/C9H17NO3/c1-2-13-9(11)3-4-10-5-7-12-8-6-10/h2-8H2,1H3

Property Name	Value
Molecular Formula	C9H17N1O3
Molecular Weight	187.12
AlogP	0.27
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	38.77
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H17N1O3

Molecular Weight

187.12

AlogP

0.27

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

38.77

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	20120-24-5
NORMAN SUSDAT
FDA SRS	Z82WZA83NC
PubChem	88374
ChemSpider	79728.0

Resources

Reference

CAS NUMBER

20120-24-5

NORMAN SUSDAT

FDA SRS

Z82WZA83NC

PubChem

88374

ChemSpider

79728.0

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

ETHYL 4-MORPHOLINEPROPIONATE

Structure

Physicochemical Descriptors

Cross References