EcoDrugPlus


Synonyms	(11c)acetic acid 11c-acetate Acetic acid c-11 Acetic-1-11c acid C-11 acetate
Status
Molecule Category	UNKNOWN
UNII	2A9OM7IPNW

Synonyms

(11c)acetic acid

11c-acetate

Acetic acid c-11

Acetic-1-11c acid

C-11 acetate

Status

Molecule Category

UNKNOWN

UNII

2A9OM7IPNW


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


InChI Key	QTBSBXVTEAMEQO-JVVVGQRLSA-N
Smiles	C[11C](=O)O
InChI	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i2-1

InChI Key

QTBSBXVTEAMEQO-JVVVGQRLSA-N

Smiles

C[11C](=O)O

InChI

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i2-1

Property Name	Value
Molecular Formula	C2H4O2
Molecular Weight	59.05
AlogP	0.09
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	0.0
Polar Surface Area	37.3
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	4.0

Property Name

Value

Molecular Formula

C2H4O2

Molecular Weight

59.05

AlogP

0.09

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

0.0

Polar Surface Area

37.3

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

4.0

Resources	Reference
ChEMBL	CHEMBL4297336
DrugBank	DB15111
FDA SRS	2A9OM7IPNW
PubChem	450349

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem


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).

ACETIC ACID C-11

Structure

Physicochemical Descriptors

Cross References