EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID00274289

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID00274289


InChI Key	IWENLYKHSZCPRD-UHFFFAOYSA-N
Smiles	NCCCCCC(=O)NCCCCCC(O)=O
InChI	InChI=1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)

InChI Key

IWENLYKHSZCPRD-UHFFFAOYSA-N

Smiles

NCCCCCC(=O)NCCCCCC(O)=O

InChI

InChI=1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)

Property Name	Value
Molecular Formula	C12H24N2O3
Molecular Weight	244.18
AlogP	2.11
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	11.0
Polar Surface Area	95.91
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C12H24N2O3

Molecular Weight

244.18

AlogP

2.11

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

11.0

Polar Surface Area

95.91

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	2014-58-6
NORMAN SUSDAT

Resources

Reference

CAS NUMBER

2014-58-6

NORMAN SUSDAT

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

6 - [(6 - AMINO - 1 - OXOHEXYL)AMINO] - HEXANOIC ACID

Structure

Physicochemical Descriptors

Cross References