EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5S2HK9A9UM
EPA CompTox	DTXSID7074454

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5S2HK9A9UM

EPA CompTox

DTXSID7074454


InChI Key	YUJCWMGBRDBPDL-UHFFFAOYSA-N
Smiles	CC1(C)CC(=O)NC(=O)C1
InChI	InChI=1S/C7H11NO2/c1-7(2)3-5(9)8-6(10)4-7/h3-4H2,1-2H3,(H,8,9,10)

InChI Key

YUJCWMGBRDBPDL-UHFFFAOYSA-N

Smiles

CC1(C)CC(=O)NC(=O)C1

InChI

InChI=1S/C7H11NO2/c1-7(2)3-5(9)8-6(10)4-7/h3-4H2,1-2H3,(H,8,9,10)

Property Name	Value
Molecular Formula	C7H11N1O2
Molecular Weight	141.08
AlogP	1.29
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	49.66
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H11N1O2

Molecular Weight

141.08

AlogP

1.29

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

49.66

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	1123-40-6
NORMAN SUSDAT
FDA SRS	5S2HK9A9UM
PubChem	14292
ChemSpider	13654.0

Resources

Reference

CAS NUMBER

1123-40-6

NORMAN SUSDAT

FDA SRS

5S2HK9A9UM

PubChem

14292

ChemSpider

13654.0

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

3,3-DIMETHYLGLUTARIMIDE

Structure

Physicochemical Descriptors

Cross References