EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2UV6ZNQ92K
EPA CompTox	DTXSID90869249

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2UV6ZNQ92K

EPA CompTox

DTXSID90869249


InChI Key	ODAIHABQVKJNIY-PEDHHIEDSA-N
Smiles	CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(O)=O
InChI	InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1

InChI Key

ODAIHABQVKJNIY-PEDHHIEDSA-N

Smiles

CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(O)=O

InChI

InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1

Property Name	Value
Molecular Formula	C17H28N2O5
Molecular Weight	340.2
AlogP	1.46
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	106.94
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C17H28N2O5

Molecular Weight

340.2

AlogP

1.46

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

7.0

Polar Surface Area

106.94

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	95153-31-4
NORMAN SUSDAT
FDA SRS	2UV6ZNQ92K
PubChem	72022
ChemSpider	65017.0

Resources

Reference

CAS NUMBER

95153-31-4

NORMAN SUSDAT

FDA SRS

2UV6ZNQ92K

PubChem

72022

ChemSpider

65017.0

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

PERINDOPRILAT

Structure

Physicochemical Descriptors

Cross References