EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	5PFW4XA3XG
EPA CompTox	DTXSID60195224

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

5PFW4XA3XG

EPA CompTox

DTXSID60195224


InChI Key	RJCGNNHKSNIUAT-UHFFFAOYSA-N
Smiles	[Cl-].CCOC(=O)CCN.[H+]
InChI	InChI=1S/C5H11NO2/c1-2-8-5(7)3-4-6/h2-4,6H2,1H3

InChI Key

RJCGNNHKSNIUAT-UHFFFAOYSA-N

Smiles

[Cl-].CCOC(=O)CCN.[H+]

InChI

InChI=1S/C5H11NO2/c1-2-8-5(7)3-4-6/h2-4,6H2,1H3

Property Name	Value
Molecular Formula	C5H11N1O2
Molecular Weight	117.08
AlogP	-0.1
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	52.32
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C5H11N1O2

Molecular Weight

117.08

AlogP

-0.1

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

52.32

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	4244-84-2
NORMAN SUSDAT
FDA SRS	5PFW4XA3XG
ChemSpider	371693.0

Resources

Reference

CAS NUMBER

4244-84-2

NORMAN SUSDAT

FDA SRS

5PFW4XA3XG

ChemSpider

371693.0

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 BETA-ALANINATE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References