EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2T74S86PUV
EPA CompTox	DTXSID30239821

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2T74S86PUV

EPA CompTox

DTXSID30239821


InChI Key	QNYFBSABYYASCB-UHFFFAOYSA-N
Smiles	COCN(CO)C(=O)OC
InChI	InChI=1S/C5H11NO4/c1-9-4-6(3-7)5(8)10-2/h7H,3-4H2,1-2H3

InChI Key

QNYFBSABYYASCB-UHFFFAOYSA-N

Smiles

COCN(CO)C(=O)OC

InChI

InChI=1S/C5H11NO4/c1-9-4-6(3-7)5(8)10-2/h7H,3-4H2,1-2H3

Property Name	Value
Molecular Formula	C5H11N1O4
Molecular Weight	149.07
AlogP	-0.39
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	59.0
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C5H11N1O4

Molecular Weight

149.07

AlogP

-0.39

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

59.0

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	93859-58-6
NORMAN SUSDAT
FDA SRS	2T74S86PUV
PubChem	14178921
ChemSpider	2289170.0

Resources

Reference

CAS NUMBER

93859-58-6

NORMAN SUSDAT

FDA SRS

2T74S86PUV

PubChem

14178921

ChemSpider

2289170.0

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

METHYL (HYDROXYMETHYL)(METHOXYMETHYL)-CARBAMATE

Structure

Physicochemical Descriptors

Cross References