EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
UNII	5ZN7006T63
EPA CompTox	DTXSID6044931

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

UNII

5ZN7006T63

EPA CompTox

DTXSID6044931


InChI Key	BEWCNXNIQCLWHP-UHFFFAOYSA-N
Smiles	CC(=C)C(=O)OCCNC(C)(C)C
InChI	InChI=1S/C10H19NO2/c1-8(2)9(12)13-7-6-11-10(3,4)5/h11H,1,6-7H2,2-5H3

InChI Key

BEWCNXNIQCLWHP-UHFFFAOYSA-N

Smiles

CC(=C)C(=O)OCCNC(C)(C)C

InChI

InChI=1S/C10H19NO2/c1-8(2)9(12)13-7-6-11-10(3,4)5/h11H,1,6-7H2,2-5H3

Property Name	Value
Molecular Formula	C10H19N1O2
Molecular Weight	185.14
AlogP	1.49
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	38.33
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H19N1O2

Molecular Weight

185.14

AlogP

1.49

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

38.33

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	3775-90-4
NORMAN SUSDAT
FDA SRS	5ZN7006T63
PubChem	19601
ChemSpider	18464.0

Resources

Reference

CAS NUMBER

3775-90-4

NORMAN SUSDAT

FDA SRS

5ZN7006T63

PubChem

19601

ChemSpider

18464.0

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, and Henri Xhaard. EcoDrugPLUS: An advanced database for drug target conservation analysis and environmental risk assessment. Nucleic Acid Research. In press.

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2-(TERT-BUTYLAMINO)ETHYL 2-METHYLPROP-2-ENOATE

Structure

Physicochemical Descriptors

Cross References