EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	26F96C8MBJ
EPA CompTox	DTXSID90180360

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

26F96C8MBJ

EPA CompTox

DTXSID90180360


InChI Key	DLAMVQGYEVKIRE-UHFFFAOYSA-N
Smiles	CC(C)(C(=O)O)NC
InChI	InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)

InChI Key

DLAMVQGYEVKIRE-UHFFFAOYSA-N

Smiles

CC(C)(C(=O)O)NC

InChI

InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)

Property Name	Value
Molecular Formula	C5H11N1O2
Molecular Weight	117.08
AlogP	0.07
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	49.33
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C5H11N1O2

Molecular Weight

117.08

AlogP

0.07

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

49.33

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	2566-34-9
NORMAN SUSDAT
FDA SRS	26F96C8MBJ
ChemSpider	68242.0

Resources

Reference

CAS NUMBER

2566-34-9

NORMAN SUSDAT

FDA SRS

26F96C8MBJ

ChemSpider

68242.0

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...

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Last update: Monday, 3 November 2025

2-(METHYLAMINO)ISOBUTYRIC ACID

Structure

Physicochemical Descriptors

Cross References