EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	87238DG84X
EPA CompTox	DTXSID2029248

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

87238DG84X

EPA CompTox

DTXSID2029248


InChI Key	LATROIIBXZFCTH-UHFFFAOYNA-N
Smiles	COCN1C(O)C(O)N(COC)C1=O
InChI	InChI=1S/C7H14N2O5/c1-13-3-8-5(10)6(11)9(4-14-2)7(8)12/h5-6,10-11H,3-4H2,1-2H3/t5-,6+

InChI Key

LATROIIBXZFCTH-UHFFFAOYNA-N

Smiles

COCN1C(O)C(O)N(COC)C1=O

InChI

InChI=1S/C7H14N2O5/c1-13-3-8-5(10)6(11)9(4-14-2)7(8)12/h5-6,10-11H,3-4H2,1-2H3/t5-,6+

Property Name	Value
Molecular Formula	C7H14N2O5
Molecular Weight	206.09
AlogP	-1.43
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	82.47
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C7H14N2O5

Molecular Weight

206.09

AlogP

-1.43

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

82.47

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	3001-61-4
NORMAN SUSDAT
FDA SRS	87238DG84X
ChemSpider	17138.0

Resources

Reference

CAS NUMBER

3001-61-4

NORMAN SUSDAT

FDA SRS

87238DG84X

ChemSpider

17138.0

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-IMIDAZOLIDINONE, 4,5-DIHYDROXY-1,3-BIS(METHOXYMETHYL)-

Structure

Physicochemical Descriptors

Cross References