EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	0TQU7668EI
EPA CompTox	DTXSID5024475

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

0TQU7668EI

EPA CompTox

DTXSID5024475


InChI Key	NILQLFBWTXNUOE-UHFFFAOYSA-N
Smiles	NC1(CCCC1)C(=O)O
InChI	InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)

InChI Key

NILQLFBWTXNUOE-UHFFFAOYSA-N

Smiles

NC1(CCCC1)C(=O)O

InChI

InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)

Property Name	Value
Molecular Formula	C6H11N1O2
Molecular Weight	129.08
AlogP	0.34
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	63.32
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C6H11N1O2

Molecular Weight

129.08

AlogP

0.34

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

63.32

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	52-52-8
NORMAN SUSDAT
FDA SRS	0TQU7668EI
PubChem	6918961
ChemSpider	2798.0

Resources

Reference

CAS NUMBER

52-52-8

NORMAN SUSDAT

FDA SRS

0TQU7668EI

PubChem

6918961

ChemSpider

2798.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

1-AMINOCYCLOPENTANECARBOXYLIC ACID

Structure

Physicochemical Descriptors

Cross References