EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	BVZ5BK16X9
EPA CompTox	DTXSID1066027

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

BVZ5BK16X9

EPA CompTox

DTXSID1066027


InChI Key	IVQCQIORBPXQGP-UHFFFAOYSA-N
Smiles	CC1(C)NC(=O)N(CO)C1=O
InChI	InChI=1S/C6H10N2O3/c1-6(2)4(10)8(3-9)5(11)7-6/h9H,3H2,1-2H3,(H,7,11)

InChI Key

IVQCQIORBPXQGP-UHFFFAOYSA-N

Smiles

CC1(C)NC(=O)N(CO)C1=O

InChI

InChI=1S/C6H10N2O3/c1-6(2)4(10)8(3-9)5(11)7-6/h9H,3H2,1-2H3,(H,7,11)

Property Name	Value
Molecular Formula	C6H10N2O3
Molecular Weight	158.07
AlogP	-0.53
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	73.13
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C6H10N2O3

Molecular Weight

158.07

AlogP

-0.53

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

73.13

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	16228-00-5
NORMAN SUSDAT
FDA SRS	BVZ5BK16X9
PubChem	85341
ChemSpider	76968.0

Resources

Reference

CAS NUMBER

16228-00-5

NORMAN SUSDAT

FDA SRS

BVZ5BK16X9

PubChem

85341

ChemSpider

76968.0

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

2,4-IMIDAZOLIDINEDIONE, 3-(HYDROXYMETHYL)-5,5-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References