EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
EPA CompTox	DTXSID30193212

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

EPA CompTox

DTXSID30193212


InChI Key	SNFZNVWAQDVFAK-XRIGFGBMSA-N
Smiles	Cl.Cl.COC(=O)C(N)CCCN
InChI	InChI=1S/C6H14N2O2/c1-10-6(9)5(8)3-2-4-7/h5H,2-4,7-8H2,1H3/t5-/m1/s1

InChI Key

SNFZNVWAQDVFAK-XRIGFGBMSA-N

Smiles

Cl.Cl.COC(=O)C(N)CCCN

InChI

InChI=1S/C6H14N2O2/c1-10-6(9)5(8)3-2-4-7/h5H,2-4,7-8H2,1H3/t5-/m1/s1

Property Name	Value
Molecular Formula	C6H14N2O2
Molecular Weight	146.11
AlogP	-0.77
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	78.34
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H14N2O2

Molecular Weight

146.11

AlogP

-0.77

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

78.34

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	40216-82-8
NORMAN SUSDAT
PubChem	14273060
ChemSpider	3581779.0

Resources

Reference

CAS NUMBER

40216-82-8

NORMAN SUSDAT

PubChem

14273060

ChemSpider

3581779.0

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

METHYL L-ORNITHINE DIHYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References