EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	LB334FVH74
EPA CompTox	DTXSID7070898

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

LB334FVH74

EPA CompTox

DTXSID7070898


InChI Key	IPTFXTZKPZNVFY-UHFFFAOYSA-N
Smiles	CC(C)OCCOC(=O)NCO
InChI	InChI=1S/C7H15NO4/c1-6(2)11-3-4-12-7(10)8-5-9/h6,9H,3-5H2,1-2H3,(H,8,10)

InChI Key

IPTFXTZKPZNVFY-UHFFFAOYSA-N

Smiles

CC(C)OCCOC(=O)NCO

InChI

InChI=1S/C7H15NO4/c1-6(2)11-3-4-12-7(10)8-5-9/h6,9H,3-5H2,1-2H3,(H,8,10)

Property Name	Value
Molecular Formula	C7H15N1O4
Molecular Weight	177.1
AlogP	0.29
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	71.28
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C7H15N1O4

Molecular Weight

177.1

AlogP

0.29

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

71.28

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	67952-44-7
NORMAN SUSDAT
FDA SRS	LB334FVH74
PubChem	106208
ChemSpider	95660.0

Resources

Reference

CAS NUMBER

67952-44-7

NORMAN SUSDAT

FDA SRS

LB334FVH74

PubChem

106208

ChemSpider

95660.0

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

CARBAMIC ACID, (HYDROXYMETHYL)-, 2-(1-METHYLETHOXY)ETHYL ESTER

Structure

Physicochemical Descriptors

Cross References