EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8PS8FF5FX8
EPA CompTox	DTXSID90994146

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8PS8FF5FX8

EPA CompTox

DTXSID90994146


InChI Key	WVULNOZIAYBGLE-SECBINFHSA-N
Smiles	O=C1OC(CO)CN1C2=CC=C(O)C=C2
InChI	InChI=1/C10H11NO4/c12-6-9-5-11(10(14)15-9)7-1-3-8(13)4-2-7/h1-4,9,12-13H,5-6H2

InChI Key

WVULNOZIAYBGLE-SECBINFHSA-N

Smiles

O=C1OC(CO)CN1C2=CC=C(O)C=C2

InChI

InChI=1/C10H11NO4/c12-6-9-5-11(10(14)15-9)7-1-3-8(13)4-2-7/h1-4,9,12-13H,5-6H2

Property Name	Value
Molecular Formula	C10H11NO4
Molecular Weight	209.07
AlogP	0.71
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	70.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C10H11NO4

Molecular Weight

209.07

AlogP

0.71

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

70.0

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	73422-72-7
NORMAN SUSDAT
FDA SRS	8PS8FF5FX8
PubChem	18646218

Resources

Reference

CAS NUMBER

73422-72-7

NORMAN SUSDAT

FDA SRS

8PS8FF5FX8

PubChem

18646218

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

(R)-5-(HYDROXYMETHYL)-3-(4-HYDROXYPHENYL)OXAZOLIDIN-2-ONE

Structure

Physicochemical Descriptors

Cross References