EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	U2UT4677KR
EPA CompTox	DTXSID2043793

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

U2UT4677KR

EPA CompTox

DTXSID2043793


InChI Key	OKJIRPAQVSHGFK-UHFFFAOYSA-N
Smiles	CC(=O)NCC(=O)O
InChI	InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)

InChI Key

OKJIRPAQVSHGFK-UHFFFAOYSA-N

Smiles

CC(=O)NCC(=O)O

InChI

InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)

Property Name	Value
Molecular Formula	C4H7N1O3
Molecular Weight	117.04
AlogP	0.05
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	69.89
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C4H7N1O3

Molecular Weight

117.04

AlogP

0.05

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

69.89

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	543-24-8
NORMAN SUSDAT
FDA SRS	U2UT4677KR
PubChem	10972
ChemSpider	10507.0

Resources

Reference

CAS NUMBER

543-24-8

NORMAN SUSDAT

FDA SRS

U2UT4677KR

PubChem

10972

ChemSpider

10507.0

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

ACETURIC ACID

Structure

Physicochemical Descriptors

Cross References