EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	TR6D7H9MYK
EPA CompTox	DTXSID50215521

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

TR6D7H9MYK

EPA CompTox

DTXSID50215521


InChI Key	QABJNOSERNVHDY-UHFFFAOYSA-N
Smiles	CCOC(=O)N1CCC(O)CC1
InChI	InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3

InChI Key

QABJNOSERNVHDY-UHFFFAOYSA-N

Smiles

CCOC(=O)N1CCC(O)CC1

InChI

InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3

Property Name	Value
Molecular Formula	C8H15N1O3
Molecular Weight	173.11
AlogP	0.6
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	49.77
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C8H15N1O3

Molecular Weight

173.11

AlogP

0.6

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

49.77

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	65214-82-6
NORMAN SUSDAT
FDA SRS	TR6D7H9MYK
PubChem	96394
ChemSpider	87017.0

Resources

Reference

CAS NUMBER

65214-82-6

NORMAN SUSDAT

FDA SRS

TR6D7H9MYK

PubChem

96394

ChemSpider

87017.0

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-HYDROXYPIPERIDINE-1-CARBOXYLATE

Structure

Physicochemical Descriptors

Cross References