EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZN63B464FZ

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZN63B464FZ


InChI Key	DUZODDYGMSCYMJ-UHFFFAOYSA-N
Smiles	CCCCCCCC(=O)NCCCCC(N)C(O)=O
InChI	InChI=1S/C14H28N2O3/c1-2-3-4-5-6-10-13(17)16-11-8-7-9-12(15)14(18)19/h12H,2-11,15H2,1H3,(H,16,17)(H,18,19)

InChI Key

DUZODDYGMSCYMJ-UHFFFAOYSA-N

Smiles

CCCCCCCC(=O)NCCCCC(N)C(O)=O

InChI

InChI=1S/C14H28N2O3/c1-2-3-4-5-6-10-13(17)16-11-8-7-9-12(15)14(18)19/h12H,2-11,15H2,1H3,(H,16,17)(H,18,19)

Property Name	Value
Molecular Formula	C14H28N2O3
Molecular Weight	272.21
AlogP	2.89
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	12.0
Polar Surface Area	95.91
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C14H28N2O3

Molecular Weight

272.21

AlogP

2.89

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

12.0

Polar Surface Area

95.91

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	23735-96-8
NORMAN SUSDAT
FDA SRS	ZN63B464FZ
PubChem	13783498
ChemSpider	35032089.0

Resources

Reference

CAS NUMBER

23735-96-8

NORMAN SUSDAT

FDA SRS

ZN63B464FZ

PubChem

13783498

ChemSpider

35032089.0

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...

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Last update: Monday, 3 November 2025

N6-(1-OXOOCTYL)-L-LYSINE

Structure

Physicochemical Descriptors

Cross References