EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	05277W2SV6
EPA CompTox	DTXSID20156876

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

05277W2SV6

EPA CompTox

DTXSID20156876


InChI Key	XAUQWYHSQICPAZ-UHFFFAOYSA-N
Smiles	[NH3+]CCCCCCCCCC(=O)[O-]
InChI	InChI=1S/C10H21NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9,11H2,(H,12,13)

InChI Key

XAUQWYHSQICPAZ-UHFFFAOYSA-N

Smiles

[NH3+]CCCCCCCCCC(=O)[O-]

InChI

InChI=1S/C10H21NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9,11H2,(H,12,13)

Property Name	Value
Molecular Formula	C10H21N1O2
Molecular Weight	187.16
AlogP	2.15
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	63.32
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H21N1O2

Molecular Weight

187.16

AlogP

2.15

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

9.0

Polar Surface Area

63.32

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	13108-19-5
NORMAN SUSDAT
FDA SRS	05277W2SV6
PubChem	83150
ChemSpider	75018.0

Resources

Reference

CAS NUMBER

13108-19-5

NORMAN SUSDAT

FDA SRS

05277W2SV6

PubChem

83150

ChemSpider

75018.0

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

10-AMINODECANOIC ACID

Structure

Physicochemical Descriptors

Cross References