EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DLW4LHP964
EPA CompTox	DTXSID70185474

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DLW4LHP964

EPA CompTox

DTXSID70185474


InChI Key	UFLXKQBCEYNCDU-UHFFFAOYSA-N
Smiles	CC(=C)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChI	InChI=1S/C13H23NO2/c1-9(2)11(15)16-10-7-12(3,4)14-13(5,6)8-10/h10,14H,1,7-8H2,2-6H3

InChI Key

UFLXKQBCEYNCDU-UHFFFAOYSA-N

Smiles

CC(=C)C(=O)OC1CC(C)(C)NC(C)(C)C1

InChI

InChI=1S/C13H23NO2/c1-9(2)11(15)16-10-7-12(3,4)14-13(5,6)8-10/h10,14H,1,7-8H2,2-6H3

Property Name	Value
Molecular Formula	C13H23N1O2
Molecular Weight	225.17
AlogP	2.41
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	38.33
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C13H23N1O2

Molecular Weight

225.17

AlogP

2.41

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

38.33

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	31582-45-3
NORMAN SUSDAT
FDA SRS	DLW4LHP964
PubChem	9815965
ChemSpider	7991715.0

Resources

Reference

CAS NUMBER

31582-45-3

NORMAN SUSDAT

FDA SRS

DLW4LHP964

PubChem

9815965

ChemSpider

7991715.0

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

2,2,6,6-TETRAMETHYL-4-PIPERIDYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References