EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	3G4GVP38EC
EPA CompTox	DTXSID60934892

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

3G4GVP38EC

EPA CompTox

DTXSID60934892


InChI Key	GDXQWRJYXZXWMT-UHFFFAOYSA-N
Smiles	O=C(N)C(C1=CC=C(O)C(O)=C1)CCC
InChI	InChI=1/C11H15NO3/c1-2-3-8(11(12)15)7-4-5-9(13)10(14)6-7/h4-6,8,13-14H,2-3H2,1H3,(H2,12,15)

InChI Key

GDXQWRJYXZXWMT-UHFFFAOYSA-N

Smiles

O=C(N)C(C1=CC=C(O)C(O)=C1)CCC

InChI

InChI=1/C11H15NO3/c1-2-3-8(11(12)15)7-4-5-9(13)10(14)6-7/h4-6,8,13-14H,2-3H2,1H3,(H2,12,15)

Property Name	Value
Molecular Formula	C11H15NO3
Molecular Weight	209.11
AlogP	2.52
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	84.54
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H15NO3

Molecular Weight

209.11

AlogP

2.52

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

84.54

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	154-62-1
NORMAN SUSDAT
FDA SRS	3G4GVP38EC
PubChem	101635

Resources

Reference

CAS NUMBER

154-62-1

NORMAN SUSDAT

FDA SRS

3G4GVP38EC

PubChem

101635

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-(3,4-DIHYDROXYPHENYL)VALERAMIDE

Structure

Physicochemical Descriptors

Cross References