EcoDrugPlus


Synonyms	An-9 Butyric Acid 2,2-Dimethyl-Propionyloxymethyl Ester Butyric Acid 2,2-Dimethyl-Propionyloxymethyl Ester(An9) Pivanex
Status
Molecule Category	Free-form
UNII	55VNK5440P
EPA CompTox	DTXSID40190818

Synonyms

An-9

Butyric Acid 2,2-Dimethyl-Propionyloxymethyl Ester

Butyric Acid 2,2-Dimethyl-Propionyloxymethyl Ester(An9)

Pivanex

Status

Molecule Category

Free-form

UNII

55VNK5440P

EPA CompTox

DTXSID40190818


InChI Key	GYKLFBYWXZYSOW-UHFFFAOYSA-N
Smiles	CCCC(=O)OCOC(=O)C(C)(C)C
InChI	InChI=1S/C10H18O4/c1-5-6-8(11)13-7-14-9(12)10(2,3)4/h5-7H2,1-4H3

InChI Key

GYKLFBYWXZYSOW-UHFFFAOYSA-N

Smiles

CCCC(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C10H18O4/c1-5-6-8(11)13-7-14-9(12)10(2,3)4/h5-7H2,1-4H3

Property Name	Value
Molecular Formula	C10H18O4
Molecular Weight	202.25
AlogP	1.88
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	52.6
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H18O4

Molecular Weight

202.25

AlogP

1.88

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

52.6

Heavy Atoms

14.0

Resources	Reference
ChEMBL	CHEMBL100014
DrugBank	DB05103
FDA SRS	55VNK5440P
PubChem	60748
SureChEMBL	SCHEMBL356482
ZINC	ZINC000001545115

Resources

Reference

ChEMBL

DrugBank

FDA SRS

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

AN-9

Structure

Physicochemical Descriptors

Cross References