EcoDrugPlus


Synonyms	2-Amino-Hexanoic Acid Hexanoic acid, 2-amino-, (s)- NSC-10378 Norleucine
Status
Molecule Category	Free-form
UNII	832C8OV84S
EPA CompTox	DTXSID70883362

Synonyms

2-Amino-Hexanoic Acid

Hexanoic acid, 2-amino-, (s)-

NSC-10378

Norleucine

Status

Molecule Category

Free-form

UNII

832C8OV84S

EPA CompTox

DTXSID70883362


InChI Key	LRQKBLKVPFOOQJ-YFKPBYRVSA-N
Smiles	CCCC[C@H](N)C(=O)O
InChI	InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1

InChI Key

LRQKBLKVPFOOQJ-YFKPBYRVSA-N

Smiles

CCCC[C@H](N)C(=O)O

InChI

InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1

Property Name	Value
Molecular Formula	C6H13NO2
Molecular Weight	131.18
AlogP	0.59
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	63.32
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C6H13NO2

Molecular Weight

131.18

AlogP

0.59

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

63.32

Molecular species

ZWITTERION

Aromatic Rings

0.0

Heavy Atoms

9.0

Resources	Reference
ChEBI	18347
ChEMBL	CHEMBL292439
DrugBank	DB15458
FDA SRS	832C8OV84S
Human Metabolome Database	HMDB0001645
KEGG	C01933
PDB	NLE
SureChEMBL	SCHEMBL8393
ZINC	ZINC000001529322

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Human Metabolome Database

KEGG

PDB

SureChEMBL

ZINC

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

NORLEUCINE

Structure

Physicochemical Descriptors

Cross References