EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ATY4K97JVJ
EPA CompTox	DTXSID801004039

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ATY4K97JVJ

EPA CompTox

DTXSID801004039


InChI Key	WMFAMWJTLDIEKW-UHFFFAOYSA-N
Smiles	O=C(OCC)N1CCC(OC)(OC)C(O)C1
InChI	InChI=1/C10H19NO5/c1-4-16-9(13)11-6-5-10(14-2,15-3)8(12)7-11/h8,12H,4-7H2,1-3H3

InChI Key

WMFAMWJTLDIEKW-UHFFFAOYSA-N

Smiles

O=C(OCC)N1CCC(OC)(OC)C(O)C1

InChI

InChI=1/C10H19NO5/c1-4-16-9(13)11-6-5-10(14-2,15-3)8(12)7-11/h8,12H,4-7H2,1-3H3

Property Name	Value
Molecular Formula	C10H19NO5
Molecular Weight	233.13
AlogP	0.2
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	68.23
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C10H19NO5

Molecular Weight

233.13

AlogP

0.2

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

68.23

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	83898-43-5
NORMAN SUSDAT
FDA SRS	ATY4K97JVJ
PubChem	3019465

Resources

Reference

CAS NUMBER

83898-43-5

NORMAN SUSDAT

FDA SRS

ATY4K97JVJ

PubChem

3019465

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 3-HYDROXY-4,4-DIMETHOXYPIPERIDINE-1-CARBOXYLATE

Structure

Physicochemical Descriptors

Cross References