EcoDrugPlus


Trade Names	BETAPRONE
Synonyms	.beta.-propiolactone Beta-propiolactone Betaprone NSC-21626 Propiolactone
Status
Molecule Category	UNKNOWN
UNII	6RC3ZT4HB0
EPA CompTox	DTXSID8021197

Trade Names

BETAPRONE

Synonyms

.beta.-propiolactone

Beta-propiolactone

Betaprone

NSC-21626

Propiolactone

Status

Molecule Category

UNKNOWN

UNII

6RC3ZT4HB0

EPA CompTox

DTXSID8021197


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


InChI Key	VEZXCJBBBCKRPI-UHFFFAOYSA-N
Smiles	O=C1CCO1
InChI	InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2

InChI Key

VEZXCJBBBCKRPI-UHFFFAOYSA-N

Smiles

O=C1CCO1

InChI

InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2

Property Name	Value
Molecular Formula	C3H4O2
Molecular Weight	72.06
AlogP	-0.07
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	0.0
Polar Surface Area	26.3
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	5.0

Property Name

Value

Molecular Formula

C3H4O2

Molecular Weight

72.06

AlogP

-0.07

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

0.0

Polar Surface Area

26.3

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

5.0

Resources	Reference
ChEBI	49073
ChEMBL	CHEMBL1200627
DrugBank	DB09348
DrugCentral	3495
FDA SRS	6RC3ZT4HB0
KEGG	C19297
PubChem	2365
SureChEMBL	SCHEMBL17977
ZINC	ZINC000001482154

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

KEGG

PubChem

SureChEMBL

ZINC


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).

PROPIOLACTONE

Structure

Physicochemical Descriptors

Cross References