EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	C92CT25818
EPA CompTox	DTXSID2051766

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

C92CT25818

EPA CompTox

DTXSID2051766


InChI Key	QAQJKDRAJZWQCM-UHFFFAOYSA-N
Smiles	COCCOC(=O)N
InChI	InChI=1S/C4H9NO3/c1-7-2-3-8-4(5)6/h2-3H2,1H3,(H2,5,6)

InChI Key

QAQJKDRAJZWQCM-UHFFFAOYSA-N

Smiles

COCCOC(=O)N

InChI

InChI=1S/C4H9NO3/c1-7-2-3-8-4(5)6/h2-3H2,1H3,(H2,5,6)

Property Name	Value
Molecular Formula	C4H9N1O3
Molecular Weight	119.06
AlogP	0.14
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	62.54
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C4H9N1O3

Molecular Weight

119.06

AlogP

0.14

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

62.54

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	1616-88-2
NORMAN SUSDAT
FDA SRS	C92CT25818
PubChem	15375
ChemSpider	14634.0

Resources

Reference

CAS NUMBER

1616-88-2

NORMAN SUSDAT

FDA SRS

C92CT25818

PubChem

15375

ChemSpider

14634.0

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-METHOXYETHYL CARBAMATE

Structure

Physicochemical Descriptors

Cross References