EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID30168147

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID30168147


InChI Key	LZJPEZQINGNPQY-UHFFFAOYSA-N
Smiles	OCCN1CCC(CC1)C(=O)O
InChI	InChI=1S/C8H15NO3/c10-6-5-9-3-1-7(2-4-9)8(11)12/h7,10H,1-6H2,(H,11,12)

InChI Key

LZJPEZQINGNPQY-UHFFFAOYSA-N

Smiles

OCCN1CCC(CC1)C(=O)O

InChI

InChI=1S/C8H15NO3/c10-6-5-9-3-1-7(2-4-9)8(11)12/h7,10H,1-6H2,(H,11,12)

Property Name	Value
Molecular Formula	C8H15N1O3
Molecular Weight	173.11
AlogP	-0.22
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	60.77
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C8H15N1O3

Molecular Weight

173.11

AlogP

-0.22

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

60.77

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	16665-18-2
NORMAN SUSDAT
PubChem	85533
ChemSpider	77141.0

Resources

Reference

CAS NUMBER

16665-18-2

NORMAN SUSDAT

PubChem

85533

ChemSpider

77141.0

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

1-(2-HYDROXYETHYL)PIPERIDINE-4-CARBOXYLIC ACID

Structure

Physicochemical Descriptors

Cross References