EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	LYS5Z02L24
EPA CompTox	DTXSID10191094

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

LYS5Z02L24

EPA CompTox

DTXSID10191094


InChI Key	LRRMPIXOZBIOGX-SFHVURJKSA-N
Smiles	CCCCCCCCCCCCCCCOC(=O)C1CCC(=O)N1
InChI	InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-20(23)18-15-16-19(22)21-18/h18H,2-17H2,1H3,(H,21,22)/t18-/m1/s1

InChI Key

LRRMPIXOZBIOGX-SFHVURJKSA-N

Smiles

CCCCCCCCCCCCCCCOC(=O)C1CCC(=O)N1

InChI

InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-20(23)18-15-16-19(22)21-18/h18H,2-17H2,1H3,(H,21,22)/t18-/m1/s1

Property Name	Value
Molecular Formula	C20H37N1O3
Molecular Weight	339.28
AlogP	5.74
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	15.0
Polar Surface Area	58.89
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C20H37N1O3

Molecular Weight

339.28

AlogP

5.74

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

15.0

Polar Surface Area

58.89

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	37673-28-2
NORMAN SUSDAT
FDA SRS	LYS5Z02L24
PubChem	56842363
ChemSpider	21230086.0

Resources

Reference

CAS NUMBER

37673-28-2

NORMAN SUSDAT

FDA SRS

LYS5Z02L24

PubChem

56842363

ChemSpider

21230086.0

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

PENTADECYL 5-OXO-L-PROLINATE

Structure

Physicochemical Descriptors

Cross References