EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	634Y52030L
EPA CompTox	DTXSID20184674

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

634Y52030L

EPA CompTox

DTXSID20184674


InChI Key	YBONNYNNFBAKLI-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)N
InChI	InChI=1S/C14H13NO2/c15-14(13(16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,15H2,(H,16,17)

InChI Key

YBONNYNNFBAKLI-UHFFFAOYSA-N

Smiles

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)N

InChI

InChI=1S/C14H13NO2/c15-14(13(16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,15H2,(H,16,17)

Property Name	Value
Molecular Formula	C14H13N1O2
Molecular Weight	227.09
AlogP	1.97
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	63.32
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H13N1O2

Molecular Weight

227.09

AlogP

1.97

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

63.32

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	3060-50-2
NORMAN SUSDAT
FDA SRS	634Y52030L
ChemSpider	17275.0

Resources

Reference

CAS NUMBER

3060-50-2

NORMAN SUSDAT

FDA SRS

634Y52030L

ChemSpider

17275.0

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

2,2-DIPHENYLGLYCINE

Structure

Physicochemical Descriptors

Cross References