EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	QLC7JS8T39
EPA CompTox	DTXSID00203074

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

QLC7JS8T39

EPA CompTox

DTXSID00203074


InChI Key	KVLYHDPFXAIPSR-UHFFFAOYSA-N
Smiles	CN(C)P(=O)(OCCOC(=O)C(=C)C)N(C)C
InChI	InChI=1S/C10H21N2O4P/c1-9(2)10(13)15-7-8-16-17(14,11(3)4)12(5)6/h1,7-8H2,2-6H3

InChI Key

KVLYHDPFXAIPSR-UHFFFAOYSA-N

Smiles

CN(C)P(=O)(OCCOC(=O)C(=C)C)N(C)C

InChI

InChI=1S/C10H21N2O4P/c1-9(2)10(13)15-7-8-16-17(14,11(3)4)12(5)6/h1,7-8H2,2-6H3

Property Name	Value
Molecular Formula	C10H21N2O4P1
Molecular Weight	264.12
AlogP	1.35
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	7.0
Polar Surface Area	59.08
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C10H21N2O4P1

Molecular Weight

264.12

AlogP

1.35

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

7.0

Polar Surface Area

59.08

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	54641-24-6
NORMAN SUSDAT
FDA SRS	QLC7JS8T39
PubChem	3016904
ChemSpider	2284753.0

Resources

Reference

CAS NUMBER

54641-24-6

NORMAN SUSDAT

FDA SRS

QLC7JS8T39

PubChem

3016904

ChemSpider

2284753.0

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-((BIS(DIMETHYLAMINO)PHOSPHINYL)OXY)ETHYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References