EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	900T44YNC7
EPA CompTox	DTXSID20863533

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

900T44YNC7

EPA CompTox

DTXSID20863533


InChI Key	RZCHTMXTKQHYDT-UHFFFAOYSA-N
Smiles	CC(O)C(=O)NCCO
InChI	InChI=1S/C5H11NO3/c1-4(8)5(9)6-2-3-7/h4,7-8H,2-3H2,1H3,(H,6,9)

InChI Key

RZCHTMXTKQHYDT-UHFFFAOYSA-N

Smiles

CC(O)C(=O)NCCO

InChI

InChI=1S/C5H11NO3/c1-4(8)5(9)6-2-3-7/h4,7-8H,2-3H2,1H3,(H,6,9)

Property Name	Value
Molecular Formula	C5H11N1O3
Molecular Weight	133.07
AlogP	-0.68
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	73.05
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C5H11N1O3

Molecular Weight

133.07

AlogP

-0.68

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

73.05

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	5422-34-4
NORMAN SUSDAT
FDA SRS	900T44YNC7
PubChem	95457
ChemSpider	86153.0

Resources

Reference

CAS NUMBER

5422-34-4

NORMAN SUSDAT

FDA SRS

900T44YNC7

PubChem

95457

ChemSpider

86153.0

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...

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Last update: Monday, 3 November 2025

PROPANAMIDE, 2-HYDROXY-N-(2-HYDROXYETHYL)-

Structure

Physicochemical Descriptors

Cross References