EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	CC42UZ2FOS
EPA CompTox	DTXSID10241008

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

CC42UZ2FOS

EPA CompTox

DTXSID10241008


InChI Key	MPKBVHZWUVHGGN-UHFFFAOYSA-N
Smiles	CC(=C)C(=O)OCCOC(=O)NC1CCCCC1
InChI	InChI=1S/C13H21NO4/c1-10(2)12(15)17-8-9-18-13(16)14-11-6-4-3-5-7-11/h11H,1,3-9H2,2H3,(H,14,16)

InChI Key

MPKBVHZWUVHGGN-UHFFFAOYSA-N

Smiles

CC(=C)C(=O)OCCOC(=O)NC1CCCCC1

InChI

InChI=1S/C13H21NO4/c1-10(2)12(15)17-8-9-18-13(16)14-11-6-4-3-5-7-11/h11H,1,3-9H2,2H3,(H,14,16)

Property Name	Value
Molecular Formula	C13H21N1O4
Molecular Weight	255.15
AlogP	2.37
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	68.12
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C13H21N1O4

Molecular Weight

255.15

AlogP

2.37

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

68.12

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	94201-45-3
NORMAN SUSDAT
FDA SRS	CC42UZ2FOS
PubChem	3023991
ChemSpider	2290021.0

Resources

Reference

CAS NUMBER

94201-45-3

NORMAN SUSDAT

FDA SRS

CC42UZ2FOS

PubChem

3023991

ChemSpider

2290021.0

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-(((CYCLOHEXYLAMINO)CARBONYL)OXY)ETHYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References