EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5T87AG9JUP
EPA CompTox	DTXSID20888226

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5T87AG9JUP

EPA CompTox

DTXSID20888226


InChI Key	ACWZISJYAYAEPT-UHFFFAOYSA-N
Smiles	O=C(N1CC1C)CCCCCCCC(=O)N2CC2C
InChI	InChI=1/C15H26N2O2/c1-12-10-16(12)14(18)8-6-4-3-5-7-9-15(19)17-11-13(17)2/h12-13H,3-11H2,1-2H3

InChI Key

ACWZISJYAYAEPT-UHFFFAOYSA-N

Smiles

O=C(N1CC1C)CCCCCCCC(=O)N2CC2C

InChI

InChI=1/C15H26N2O2/c1-12-10-16(12)14(18)8-6-4-3-5-7-9-15(19)17-11-13(17)2/h12-13H,3-11H2,1-2H3

Property Name	Value
Molecular Formula	C15H26N2O2
Molecular Weight	266.2
AlogP	2.18
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	40.16
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H26N2O2

Molecular Weight

266.2

AlogP

2.18

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

40.16

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	72797-24-1
NORMAN SUSDAT
FDA SRS	5T87AG9JUP
PubChem	175171

Resources

Reference

CAS NUMBER

72797-24-1

NORMAN SUSDAT

FDA SRS

5T87AG9JUP

PubChem

175171

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

1,1'-(1,9-DIOXONONANE-1,9-DIYL)BIS(2-METHYLAZIRIDINE)

Structure

Physicochemical Descriptors

Cross References