EcoDrugPlus


Synonyms	Salcaprozic acid
Status
Molecule Category	Free-form
UNII	X88E147FCU
EPA CompTox	DTXSID60171523

Synonyms

Salcaprozic acid

Status

Molecule Category

Free-form

UNII

X88E147FCU

EPA CompTox

DTXSID60171523


InChI Key	NJEKDCUDSORUJA-UHFFFAOYSA-N
Smiles	O=C(O)CCCCCCCNC(=O)c1ccccc1O
InChI	InChI=1S/C15H21NO4/c17-13-9-6-5-8-12(13)15(20)16-11-7-3-1-2-4-10-14(18)19/h5-6,8-9,17H,1-4,7,10-11H2,(H,16,20)(H,18,19)

InChI Key

NJEKDCUDSORUJA-UHFFFAOYSA-N

Smiles

O=C(O)CCCCCCCNC(=O)c1ccccc1O

InChI

InChI=1S/C15H21NO4/c17-13-9-6-5-8-12(13)15(20)16-11-7-3-1-2-4-10-14(18)19/h5-6,8-9,17H,1-4,7,10-11H2,(H,16,20)(H,18,19)

Property Name	Value
Molecular Formula	C15H21NO4
Molecular Weight	279.34
AlogP	2.55
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	9.0
Polar Surface Area	86.63
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H21NO4

Molecular Weight

279.34

AlogP

2.55

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

9.0

Polar Surface Area

86.63

Molecular species

ACID

Aromatic Rings

1.0

Heavy Atoms

20.0

Resources	Reference
ChEMBL	CHEMBL16503
FDA SRS	X88E147FCU
PubChem	158789
SureChEMBL	SCHEMBL4586235
ZINC	ZINC000001893718

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

ZINC

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

SALCAPROZIC ACID

Structure

Physicochemical Descriptors

Cross References