EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8P18J856U2
EPA CompTox	DTXSID10200519

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8P18J856U2

EPA CompTox

DTXSID10200519


InChI Key	SLHPMAOXNSLXEH-UHFFFAOYSA-N
Smiles	C[C@@H]1CC[C@@H](C(C)C)[C@@H](C1)OC(=O)[C@@H]2CCC(=O)N2
InChI	InChI=1S/C15H25NO3/c1-9(2)11-5-4-10(3)8-13(11)19-15(18)12-6-7-14(17)16-12/h9-13H,4-8H2,1-3H3,(H,16,17)/t10-,11+,12+,13-/m1/s1

InChI Key

SLHPMAOXNSLXEH-UHFFFAOYSA-N

Smiles

C[C@@H]1CC[C@@H](C(C)C)[C@@H](C1)OC(=O)[C@@H]2CCC(=O)N2

InChI

InChI=1S/C15H25NO3/c1-9(2)11-5-4-10(3)8-13(11)19-15(18)12-6-7-14(17)16-12/h9-13H,4-8H2,1-3H3,(H,16,17)/t10-,11+,12+,13-/m1/s1

Property Name	Value
Molecular Formula	C15H25N1O3
Molecular Weight	267.18
AlogP	3.11
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	58.89
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H25N1O3

Molecular Weight

267.18

AlogP

3.11

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

58.89

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	52528-10-6
NORMAN SUSDAT
FDA SRS	8P18J856U2
PubChem	109140
ChemSpider	98142.0

Resources

Reference

CAS NUMBER

52528-10-6

NORMAN SUSDAT

FDA SRS

8P18J856U2

PubChem

109140

ChemSpider

98142.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

MENTHYL PCA

Structure

Physicochemical Descriptors

Cross References