EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8AQA627GQ3
EPA CompTox	DTXSID40202647

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8AQA627GQ3

EPA CompTox

DTXSID40202647


InChI Key	UFDFFEMHDKXMBG-UHFFFAOYSA-N
Smiles	CC(=O)NC(=C)C(=O)O
InChI	InChI=1S/C5H7NO3/c1-3(5(8)9)6-4(2)7/h1H2,2H3,(H,6,7)(H,8,9)

InChI Key

UFDFFEMHDKXMBG-UHFFFAOYSA-N

Smiles

CC(=O)NC(=C)C(=O)O

InChI

InChI=1S/C5H7NO3/c1-3(5(8)9)6-4(2)7/h1H2,2H3,(H,6,7)(H,8,9)

Property Name	Value
Molecular Formula	C5H7N1O3
Molecular Weight	129.04
AlogP	0.56
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	69.89
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C5H7N1O3

Molecular Weight

129.04

AlogP

0.56

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

69.89

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	5429-56-1
NORMAN SUSDAT
FDA SRS	8AQA627GQ3
PubChem	79482
ChemSpider	71795.0

Resources

Reference

CAS NUMBER

5429-56-1

NORMAN SUSDAT

FDA SRS

8AQA627GQ3

PubChem

79482

ChemSpider

71795.0

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

2-ACETAMIDOACRYLIC ACID

Structure

Physicochemical Descriptors

Cross References