EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	23M53AD2J7
EPA CompTox	DTXSID70180348

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

23M53AD2J7

EPA CompTox

DTXSID70180348


InChI Key	DCGGMHIZEAHUJL-UHFFFAOYSA-N
Smiles	CN1C(=O)CC(=O)NC1=O
InChI	InChI=1S/C5H6N2O3/c1-7-4(9)2-3(8)6-5(7)10/h2H2,1H3,(H,6,8,10)

InChI Key

DCGGMHIZEAHUJL-UHFFFAOYSA-N

Smiles

CN1C(=O)CC(=O)NC1=O

InChI

InChI=1S/C5H6N2O3/c1-7-4(9)2-3(8)6-5(7)10/h2H2,1H3,(H,6,8,10)

Property Name	Value
Molecular Formula	C5H6N2O3
Molecular Weight	142.04
AlogP	-0.07
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	69.97
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C5H6N2O3

Molecular Weight

142.04

AlogP

-0.07

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

69.97

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	2565-47-1
NORMAN SUSDAT
FDA SRS	23M53AD2J7
PubChem	75722
ChemSpider	68240.0

Resources

Reference

CAS NUMBER

2565-47-1

NORMAN SUSDAT

FDA SRS

23M53AD2J7

PubChem

75722

ChemSpider

68240.0

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-METHYL BARBITURIC ACID

Structure

Physicochemical Descriptors

Cross References