EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9ADS738UZZ
EPA CompTox	DTXSID50187673

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9ADS738UZZ

EPA CompTox

DTXSID50187673


InChI Key	KYRUKRFVOACELK-UHFFFAOYSA-N
Smiles	Oc1ccc(CCC(=O)ON2C(=O)CCC2=O)cc1
InChI	InChI=1S/C13H13NO5/c15-10-4-1-9(2-5-10)3-8-13(18)19-14-11(16)6-7-12(14)17/h1-2,4-5,15H,3,6-8H2

InChI Key

KYRUKRFVOACELK-UHFFFAOYSA-N

Smiles

Oc1ccc(CCC(=O)ON2C(=O)CCC2=O)cc1

InChI

InChI=1S/C13H13NO5/c15-10-4-1-9(2-5-10)3-8-13(18)19-14-11(16)6-7-12(14)17/h1-2,4-5,15H,3,6-8H2

Property Name	Value
Molecular Formula	C13H13N1O5
Molecular Weight	263.08
AlogP	0.93
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	83.91
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C13H13N1O5

Molecular Weight

263.08

AlogP

0.93

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

83.91

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	34071-95-9
NORMAN SUSDAT
FDA SRS	9ADS738UZZ
PubChem	99557
ChemSpider	89944.0

Resources

Reference

CAS NUMBER

34071-95-9

NORMAN SUSDAT

FDA SRS

9ADS738UZZ

PubChem

99557

ChemSpider

89944.0

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

N-SUCCINIMIDYL-3-(4-HYDROXYPHENYL)PROPIONATE

Structure

Physicochemical Descriptors

Cross References