EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	TQ7DL04CAE
EPA CompTox	DTXSID80883338

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

TQ7DL04CAE

EPA CompTox

DTXSID80883338


InChI Key	SNEIUMQYRCDYCH-LURJTMIESA-N
Smiles	CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O
InChI	InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1

InChI Key

SNEIUMQYRCDYCH-LURJTMIESA-N

Smiles

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O

InChI

InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1

Property Name	Value
Molecular Formula	C8H16N4O3
Molecular Weight	216.12
AlogP	-0.32
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	6.0
Polar Surface Area	131.79
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C8H16N4O3

Molecular Weight

216.12

AlogP

-0.32

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

6.0

Polar Surface Area

131.79

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	155-84-0
NORMAN SUSDAT
FDA SRS	TQ7DL04CAE
PubChem	1615663

Resources

Reference

CAS NUMBER

155-84-0

NORMAN SUSDAT

FDA SRS

TQ7DL04CAE

PubChem

1615663

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-ACETYL-L-ARGININE

Structure

Physicochemical Descriptors

Cross References