EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID3067813

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID3067813


InChI Key	JTSXFTWPBWFCPA-UHFFFAOYSA-N
Smiles	CC12CCC(CC1)C(C)(C)[N+](=[N+]2[O-])[O-]
InChI	InChI=1S/C10H18N2O2/c1-9(2)8-4-6-10(3,7-5-8)12(14)11(9)13/h8H,4-7H2,1-3H3/t8-,10+

InChI Key

JTSXFTWPBWFCPA-UHFFFAOYSA-N

Smiles

CC12CCC(CC1)C(C)(C)[N+](=[N+]2[O-])[O-]

InChI

InChI=1S/C10H18N2O2/c1-9(2)8-4-6-10(3,7-5-8)12(14)11(9)13/h8H,4-7H2,1-3H3/t8-,10+

Property Name	Value
Molecular Formula	C10H18N2O2
Molecular Weight	198.14
AlogP	2.2
Hydrogen Bond Acceptor	2.0
Polar Surface Area	52.14
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H18N2O2

Molecular Weight

198.14

AlogP

2.2

Hydrogen Bond Acceptor

2.0

Polar Surface Area

52.14

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	34122-40-2
NORMAN SUSDAT
PubChem	118132
ChemSpider	105569.0

Resources

Reference

CAS NUMBER

34122-40-2

NORMAN SUSDAT

PubChem

118132

ChemSpider

105569.0

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...

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Last update: Monday, 3 November 2025

2,3-DIAZABICYCLO[3.2.2]NON-2-ENE, 1,4,4-TRIMETHYL-, 2,3-DIOXIDE

Structure

Physicochemical Descriptors

Cross References