EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	LYR06W430J
EPA CompTox	DTXSID20177586

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

LYR06W430J

EPA CompTox

DTXSID20177586


InChI Key	XLCIFRJORZNGEV-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCC(=O)N(C)CC(=O)OC(C)C
InChI	InChI=1S/C18H35NO3/c1-5-6-7-8-9-10-11-12-13-14-17(20)19(4)15-18(21)22-16(2)3/h16H,5-15H2,1-4H3

InChI Key

XLCIFRJORZNGEV-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCC(=O)N(C)CC(=O)OC(C)C

InChI

InChI=1S/C18H35NO3/c1-5-6-7-8-9-10-11-12-13-14-17(20)19(4)15-18(21)22-16(2)3/h16H,5-15H2,1-4H3

Property Name	Value
Molecular Formula	C18H35N1O3
Molecular Weight	313.26
AlogP	4.32
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	13.0
Polar Surface Area	46.61
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C18H35N1O3

Molecular Weight

313.26

AlogP

4.32

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

13.0

Polar Surface Area

46.61

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	230309-38-3
NORMAN SUSDAT
FDA SRS	LYR06W430J
PubChem	9926846
ChemSpider	8102480.0

Resources

Reference

CAS NUMBER

230309-38-3

NORMAN SUSDAT

FDA SRS

LYR06W430J

PubChem

9926846

ChemSpider

8102480.0

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

ISOPROPYL LAUROYL SARCOSINATE

Structure

Physicochemical Descriptors

Cross References