EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	T67NZ5MU4H
EPA CompTox	DTXSID80178574

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

T67NZ5MU4H

EPA CompTox

DTXSID80178574


InChI Key	KDZOASGQNOPSCU-WDSKDSINSA-N
Smiles	O=C(O)C(N)CCC/N=C(/NC(C(=O)O)CC(=O)O)N
InChI	InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1

InChI Key

KDZOASGQNOPSCU-WDSKDSINSA-N

Smiles

O=C(O)C(N)CCC/N=C(/NC(C(=O)O)CC(=O)O)N

InChI

InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1

Property Name	Value
Molecular Formula	C10H18N4O6
Molecular Weight	290.12
AlogP	-1.78
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	7.0
Number of Rotational Bond	9.0
Polar Surface Area	185.83
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C10H18N4O6

Molecular Weight

290.12

AlogP

-1.78

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

7.0

Number of Rotational Bond

9.0

Polar Surface Area

185.83

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	2387-71-5
NORMAN SUSDAT
FDA SRS	T67NZ5MU4H
PubChem	16950
ChemSpider	16059.0

Resources

Reference

CAS NUMBER

2387-71-5

NORMAN SUSDAT

FDA SRS

T67NZ5MU4H

PubChem

16950

ChemSpider

16059.0

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

ARGININOSUCCINIC ACID

Structure

Physicochemical Descriptors

Cross References