EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	288B9CW12D
EPA CompTox	DTXSID6044018

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

288B9CW12D

EPA CompTox

DTXSID6044018


InChI Key	ICPWFHKNYYRBSZ-UHFFFAOYNA-N
Smiles	COC(C)C(=O)O
InChI	InChI=1S/C4H8O3/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6)/t3-/m1/s1

InChI Key

ICPWFHKNYYRBSZ-UHFFFAOYNA-N

Smiles

COC(C)C(=O)O

InChI

InChI=1S/C4H8O3/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6)/t3-/m1/s1

Property Name	Value
Molecular Formula	C4H8O3
Molecular Weight	104.05
AlogP	0.11
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	46.53
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C4H8O3

Molecular Weight

104.05

AlogP

0.11

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

46.53

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	4324-37-2
NORMAN SUSDAT
FDA SRS	288B9CW12D
ChemSpider	83248.0

Resources

Reference

CAS NUMBER

4324-37-2

NORMAN SUSDAT

FDA SRS

288B9CW12D

ChemSpider

83248.0

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

2-METHOXYPROPIONIC ACID

Structure

Physicochemical Descriptors

Cross References