EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8L97V505GU
EPA CompTox	DTXSID601017040

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8L97V505GU

EPA CompTox

DTXSID601017040


InChI Key	DKEXFJVMVGETOO-LURJTMIESA-N
Smiles	CC(C)CC(C(=O)O)NC(=O)CN
InChI	InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1

InChI Key

DKEXFJVMVGETOO-LURJTMIESA-N

Smiles

CC(C)CC(C(=O)O)NC(=O)CN

InChI

InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1

Property Name	Value
Molecular Formula	C8H16N2O3
Molecular Weight	188.12
AlogP	0.4
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	95.91
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C8H16N2O3

Molecular Weight

188.12

AlogP

0.4

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

5.0

Polar Surface Area

95.91

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	869-19-2
NORMAN SUSDAT
FDA SRS	8L97V505GU
ChemSpider	83812.0

Resources

Reference

CAS NUMBER

869-19-2

NORMAN SUSDAT

FDA SRS

8L97V505GU

ChemSpider

83812.0

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

GLYCYL-L-LEUCINE

Structure

Physicochemical Descriptors

Cross References