EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Y1P25NQI7X

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Y1P25NQI7X


InChI Key	HDCLAZJBXICSPD-UHFFFAOYSA-N
Smiles	CC1CC(CC(C)(C)C1)OC(=O)CN2CCCC2=O
InChI	InChI=1S/C15H25NO3/c1-11-7-12(9-15(2,3)8-11)19-14(18)10-16-6-4-5-13(16)17/h11-12H,4-10H2,1-3H3

InChI Key

HDCLAZJBXICSPD-UHFFFAOYSA-N

Smiles

CC1CC(CC(C)(C)C1)OC(=O)CN2CCCC2=O

InChI

InChI=1S/C15H25NO3/c1-11-7-12(9-15(2,3)8-11)19-14(18)10-16-6-4-5-13(16)17/h11-12H,4-10H2,1-3H3

Property Name	Value
Molecular Formula	C15H25N1O3
Molecular Weight	267.18
AlogP	2.37
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	46.61
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H25N1O3

Molecular Weight

267.18

AlogP

2.37

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

46.61

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	82209-39-0
NORMAN SUSDAT
FDA SRS	Y1P25NQI7X

Resources

Reference

CAS NUMBER

82209-39-0

NORMAN SUSDAT

FDA SRS

Y1P25NQI7X

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

PIRAXELATE

Structure

Physicochemical Descriptors

Cross References