EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2VVK4C5SRG
EPA CompTox	DTXSID90239948

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2VVK4C5SRG

EPA CompTox

DTXSID90239948


InChI Key	ILJKDPMCBJOTEF-UHFFFAOYSA-N
Smiles	COCCCN(CCO)CCOC(=O)C(=C)C
InChI	InChI=1S/C12H23NO4/c1-11(2)12(15)17-10-7-13(6-8-14)5-4-9-16-3/h14H,1,4-10H2,2-3H3

InChI Key

ILJKDPMCBJOTEF-UHFFFAOYSA-N

Smiles

COCCCN(CCO)CCOC(=O)C(=C)C

InChI

InChI=1S/C12H23NO4/c1-11(2)12(15)17-10-7-13(6-8-14)5-4-9-16-3/h14H,1,4-10H2,2-3H3

Property Name	Value
Molecular Formula	C12H23N1O4
Molecular Weight	245.16
AlogP	0.44
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	10.0
Polar Surface Area	59.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C12H23N1O4

Molecular Weight

245.16

AlogP

0.44

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

10.0

Polar Surface Area

59.0

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	93962-70-0
NORMAN SUSDAT
FDA SRS	2VVK4C5SRG
PubChem	3023066
ChemSpider	2289375.0

Resources

Reference

CAS NUMBER

93962-70-0

NORMAN SUSDAT

FDA SRS

2VVK4C5SRG

PubChem

3023066

ChemSpider

2289375.0

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-((2-HYDROXYETHYL)(3-METHOXYPROPYL)AMINO)ETHYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References