EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	5GZ3E0L9ZU
EPA CompTox	DTXSID0044020

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

5GZ3E0L9ZU

EPA CompTox

DTXSID0044020


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	IADUEWIQBXOCDZ-VKHMYHEASA-N
Smiles	O=C(O)C1NCC1
InChI	InChI=1/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)

InChI Key

IADUEWIQBXOCDZ-VKHMYHEASA-N

Smiles

O=C(O)C1NCC1

InChI

InChI=1/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)

Property Name	Value
Molecular Formula	C4H7NO2
Molecular Weight	101.05
AlogP	-0.57
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	49.33
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C4H7NO2

Molecular Weight

101.05

AlogP

-0.57

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

49.33

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	2133-34-8
NORMAN SUSDAT
FDA SRS	5GZ3E0L9ZU
PubChem	16486
ChemSpider	15628.0

Resources

Reference

CAS NUMBER

2133-34-8

NORMAN SUSDAT

FDA SRS

5GZ3E0L9ZU

PubChem

16486

ChemSpider

15628.0


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

(S)-AZETIDINE-2-CARBOXYLIC ACID

Structure

Physicochemical Descriptors

Cross References