EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID6066523

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID6066523


InChI Key	FBZULTVJWVCJQV-UHFFFAOYSA-N
Smiles	CC(C)OC(=O)NNC(=O)OC(C)C
InChI	InChI=1S/C8H16N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3,(H,9,11)(H,10,12)

InChI Key

FBZULTVJWVCJQV-UHFFFAOYSA-N

Smiles

CC(C)OC(=O)NNC(=O)OC(C)C

InChI

InChI=1S/C8H16N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3,(H,9,11)(H,10,12)

Property Name	Value
Molecular Formula	C8H16N2O4
Molecular Weight	204.11
AlogP	1.58
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	83.64
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C8H16N2O4

Molecular Weight

204.11

AlogP

1.58

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

83.64

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	19740-72-8
NORMAN SUSDAT
PubChem	88220
ChemSpider	79587.0

Resources

Reference

CAS NUMBER

19740-72-8

NORMAN SUSDAT

PubChem

88220

ChemSpider

79587.0

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

1,2-HYDRAZINEDICARBOXYLIC ACID, BIS(1-METHYLETHYL) ESTER

Structure

Physicochemical Descriptors

Cross References