EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	M4G8D7D6N4
EPA CompTox	DTXSID90199710

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

M4G8D7D6N4

EPA CompTox

DTXSID90199710


InChI Key	MZUDIFKBLVBMPD-UHFFFAOYSA-N
Smiles	CCOC(=O)N1CCC2(CC1)OCCO2
InChI	InChI=1S/C10H17NO4/c1-2-13-9(12)11-5-3-10(4-6-11)14-7-8-15-10/h2-8H2,1H3

InChI Key

MZUDIFKBLVBMPD-UHFFFAOYSA-N

Smiles

CCOC(=O)N1CCC2(CC1)OCCO2

InChI

InChI=1S/C10H17NO4/c1-2-13-9(12)11-5-3-10(4-6-11)14-7-8-15-10/h2-8H2,1H3

Property Name	Value
Molecular Formula	C10H17N1O4
Molecular Weight	215.12
AlogP	0.98
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	1.0
Polar Surface Area	48.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C10H17N1O4

Molecular Weight

215.12

AlogP

0.98

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

1.0

Polar Surface Area

48.0

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	51787-77-0
NORMAN SUSDAT
FDA SRS	M4G8D7D6N4
PubChem	103967
ChemSpider	93867.0

Resources

Reference

CAS NUMBER

51787-77-0

NORMAN SUSDAT

FDA SRS

M4G8D7D6N4

PubChem

103967

ChemSpider

93867.0

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

ETHYL 1,4-DIOXA-8-AZASPIRO(4.5)DECANE-8-CARBOXYLATE

Structure

Physicochemical Descriptors

Cross References