EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6N5U4QFC3G

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6N5U4QFC3G


InChI Key	KEDYTOTWMPBSLG-HILJTLORSA-N
Smiles	C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O
InChI	InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1

InChI Key

KEDYTOTWMPBSLG-HILJTLORSA-N

Smiles

C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O

InChI

InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1

Property Name	Value
Molecular Formula	C21H28N2O5
Molecular Weight	388.2
AlogP	1.9
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	8.0
Polar Surface Area	106.94
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C21H28N2O5

Molecular Weight

388.2

AlogP

1.9

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

8.0

Polar Surface Area

106.94

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	87269-97-4
NORMAN SUSDAT
FDA SRS	6N5U4QFC3G
PubChem	5464096
ChemSpider	4576531.0

Resources

Reference

CAS NUMBER

87269-97-4

NORMAN SUSDAT

FDA SRS

6N5U4QFC3G

PubChem

5464096

ChemSpider

4576531.0

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

RAMIPRILAT

Structure

Physicochemical Descriptors

Cross References