EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	MMN3UR222P
EPA CompTox	DTXSID90172765

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

MMN3UR222P

EPA CompTox

DTXSID90172765


InChI Key	RNRMBJKSBHBTFK-UHFFFAOYSA-N
Smiles	CC(=O)CC(=O)NCC(=O)N
InChI	InChI=1S/C6H10N2O3/c1-4(9)2-6(11)8-3-5(7)10/h2-3H2,1H3,(H2,7,10)(H,8,11)

InChI Key

RNRMBJKSBHBTFK-UHFFFAOYSA-N

Smiles

CC(=O)CC(=O)NCC(=O)N

InChI

InChI=1S/C6H10N2O3/c1-4(9)2-6(11)8-3-5(7)10/h2-3H2,1H3,(H2,7,10)(H,8,11)

Property Name	Value
Molecular Formula	C6H10N2O3
Molecular Weight	158.07
AlogP	0.46
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	93.74
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C6H10N2O3

Molecular Weight

158.07

AlogP

0.46

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

4.0

Polar Surface Area

93.74

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	19206-95-2
NORMAN SUSDAT
FDA SRS	MMN3UR222P
PubChem	87958
ChemSpider	79354.0

Resources

Reference

CAS NUMBER

19206-95-2

NORMAN SUSDAT

FDA SRS

MMN3UR222P

PubChem

87958

ChemSpider

79354.0

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

N-(2-AMINO-2-OXOETHYL)-3-OXOBUTYRAMIDE

Structure

Physicochemical Descriptors

Cross References