EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	QQQ3B8K5K1
EPA CompTox	DTXSID5066110

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

QQQ3B8K5K1

EPA CompTox

DTXSID5066110


InChI Key	SVYHMICYJHWXIN-UHFFFAOYSA-N
Smiles	CC(C)N(CCOC(=O)C(=C)C)C(C)C
InChI	InChI=1S/C12H23NO2/c1-9(2)12(14)15-8-7-13(10(3)4)11(5)6/h10-11H,1,7-8H2,2-6H3

InChI Key

SVYHMICYJHWXIN-UHFFFAOYSA-N

Smiles

CC(C)N(CCOC(=O)C(=C)C)C(C)C

InChI

InChI=1S/C12H23NO2/c1-9(2)12(14)15-8-7-13(10(3)4)11(5)6/h10-11H,1,7-8H2,2-6H3

Property Name	Value
Molecular Formula	C12H23N1O2
Molecular Weight	213.17
AlogP	2.22
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	29.54
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H23N1O2

Molecular Weight

213.17

AlogP

2.22

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

6.0

Polar Surface Area

29.54

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	16715-83-6
NORMAN SUSDAT
FDA SRS	QQQ3B8K5K1
PubChem	28003
ChemSpider	26046.0

Resources

Reference

CAS NUMBER

16715-83-6

NORMAN SUSDAT

FDA SRS

QQQ3B8K5K1

PubChem

28003

ChemSpider

26046.0

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-(DIISOPROPYLAMINO)ETHYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References