EcoDrugPlus


Synonyms	Alanosine L-alanosine NSC-153353 NSC-529469 Sdx-102
Status
Molecule Category	Free-form
UNII	2CNI71214Y

Synonyms

Alanosine

L-alanosine

NSC-153353

NSC-529469

Sdx-102

Status

Molecule Category

Free-form

UNII

2CNI71214Y


InChI Key	MLFKVJCWGUZWNV-REOHCLBHSA-N
Smiles	N[C@@H](CN(O)N=O)C(=O)O
InChI	InChI=1S/C3H7N3O4/c4-2(3(7)8)1-6(10)5-9/h2,10H,1,4H2,(H,7,8)/t2-/m0/s1

InChI Key

MLFKVJCWGUZWNV-REOHCLBHSA-N

Smiles

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

InChI

InChI=1S/C3H7N3O4/c4-2(3(7)8)1-6(10)5-9/h2,10H,1,4H2,(H,7,8)/t2-/m0/s1

Property Name	Value
Molecular Formula	C3H7N3O4
Molecular Weight	149.11
AlogP	-1.23
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	116.22
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C3H7N3O4

Molecular Weight

149.11

AlogP

-1.23

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

4.0

Polar Surface Area

116.22

Molecular species

ZWITTERION

Aromatic Rings

0.0

Heavy Atoms

10.0

Resources	Reference
ChEMBL	CHEMBL452715
DrugBank	DB05540
FDA SRS	2CNI71214Y
PDB	AL0
PubChem	22128
SureChEMBL	SCHEMBL17445
ZINC	ZINC000004214744

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PDB

PubChem

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

ALANOSINE

Structure

Physicochemical Descriptors

Cross References