EcoDrugPlus


Synonyms	(2s)-2-aminopropanoic acid Alanine E639 L-2-aminopropanoic acid L-alanine NSC-206315
Status
Molecule Category	Free-form
UNII	1FU7983T0U
EPA CompTox	DTXSID6031255

Synonyms

(2s)-2-aminopropanoic acid

Alanine

E639

L-2-aminopropanoic acid

L-alanine

NSC-206315

Status

Molecule Category

Free-form

UNII

1FU7983T0U

EPA CompTox

DTXSID6031255


InChI Key	QNAYBMKLOCPYGJ-UHFFFAOYSA-N
Smiles	CC(N)C(=O)O
InChI	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)

InChI Key

QNAYBMKLOCPYGJ-UHFFFAOYSA-N

Smiles

CC(N)C(=O)O

InChI

InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)

Property Name	Value
Molecular Formula	C3H7NO2
Molecular Weight	89.09
AlogP	-0.58
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	63.32
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	6.0

Property Name

Value

Molecular Formula

C3H7NO2

Molecular Weight

89.09

AlogP

-0.58

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

63.32

Molecular species

ZWITTERION

Aromatic Rings

0.0

Heavy Atoms

6.0

Resources	Reference
ChEBI	66916
ChEMBL	CHEMBL12198
DrugCentral	4306
FDA SRS	1FU7983T0U
Human Metabolome Database	HMDB0062251
KEGG	C01401
SureChEMBL	SCHEMBL31

Resources

Reference

ChEBI

ChEMBL

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0062251

KEGG

C01401

SureChEMBL

SCHEMBL31

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

ALANINE

Structure

Physicochemical Descriptors

Cross References