EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	1C7GO6OW7L
EPA CompTox	DTXSID70238939

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

1C7GO6OW7L

EPA CompTox

DTXSID70238939


InChI Key	RALGCAOVRLYSMA-UHFFFAOYSA-N
Smiles	CCCC(CCC)C(=O)NCC(=O)N
InChI	InChI=1S/C10H20N2O2/c1-3-5-8(6-4-2)10(14)12-7-9(11)13/h8H,3-7H2,1-2H3,(H2,11,13)(H,12,14)

InChI Key

RALGCAOVRLYSMA-UHFFFAOYSA-N

Smiles

CCCC(CCC)C(=O)NCC(=O)N

InChI

InChI=1S/C10H20N2O2/c1-3-5-8(6-4-2)10(14)12-7-9(11)13/h8H,3-7H2,1-2H3,(H2,11,13)(H,12,14)

Property Name	Value
Molecular Formula	C10H20N2O2
Molecular Weight	200.15
AlogP	2.69
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	76.67
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H20N2O2

Molecular Weight

200.15

AlogP

2.69

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

7.0

Polar Surface Area

76.67

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	92262-58-3
NORMAN SUSDAT
FDA SRS	1C7GO6OW7L
PubChem	6918293
ChemSpider	5293499.0

Resources

Reference

CAS NUMBER

92262-58-3

NORMAN SUSDAT

FDA SRS

1C7GO6OW7L

PubChem

6918293

ChemSpider

5293499.0

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, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

VALROCEMIDE

Structure

Physicochemical Descriptors

Cross References