EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	1W34GCF5CS
EPA CompTox	DTXSID2031746

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

1W34GCF5CS

EPA CompTox

DTXSID2031746


InChI Key	SURZCVYFPAXNGN-UHFFFAOYSA-N
Smiles	CCOC(=O)NC
InChI	InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)

InChI Key

SURZCVYFPAXNGN-UHFFFAOYSA-N

Smiles

CCOC(=O)NC

InChI

InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)

Property Name	Value
Molecular Formula	C4H9N1O2
Molecular Weight	103.06
AlogP	0.57
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	41.82
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C4H9N1O2

Molecular Weight

103.06

AlogP

0.57

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

41.82

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	105-40-8
NORMAN SUSDAT
FDA SRS	1W34GCF5CS
PubChem	7752
ChemSpider	7466.0

Resources

Reference

CAS NUMBER

105-40-8

NORMAN SUSDAT

FDA SRS

1W34GCF5CS

PubChem

7752

ChemSpider

7466.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

N-METHYLCARBAMIC ACID, ETHYL ESTER

Structure

Physicochemical Descriptors

Cross References