EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	43255365IF
EPA CompTox	DTXSID60862727

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

43255365IF

EPA CompTox

DTXSID60862727


InChI Key	QTFKTBRIGWJQQL-UHFFFAOYSA-N
Smiles	CCOC(=O)N[P](=O)(N1CC1(C)C)N2CC2(C)C
InChI	InChI=1S/C11H22N3O3P/c1-6-17-9(15)12-18(16,13-7-10(13,2)3)14-8-11(14,4)5/h6-8H2,1-5H3,(H,12,15,16)

InChI Key

QTFKTBRIGWJQQL-UHFFFAOYSA-N

Smiles

CCOC(=O)N[P](=O)(N1CC1(C)C)N2CC2(C)C

InChI

InChI=1S/C11H22N3O3P/c1-6-17-9(15)12-18(16,13-7-10(13,2)3)14-8-11(14,4)5/h6-8H2,1-5H3,(H,12,15,16)

Property Name	Value
Molecular Formula	C11H22N3O3P1
Molecular Weight	275.14
AlogP	2.23
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	64.91
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C11H22N3O3P1

Molecular Weight

275.14

AlogP

2.23

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

64.91

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	1661-29-6
NORMAN SUSDAT
FDA SRS	43255365IF

Resources

Reference

CAS NUMBER

1661-29-6

NORMAN SUSDAT

FDA SRS

43255365IF

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

METUREDEPA

Structure

Physicochemical Descriptors

Cross References