EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	QW8X937AJ3
EPA CompTox	DTXSID70160448

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

QW8X937AJ3

EPA CompTox

DTXSID70160448


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	WHNSJMMQNFSFBX-UHFFFAOYSA-N
Smiles	NN(CC(=O)O)C(=O)N
InChI	InChI=1S/C3H7N3O3/c4-3(9)6(5)1-2(7)8/h1,5H2,(H2,4,9)(H,7,8)

InChI Key

WHNSJMMQNFSFBX-UHFFFAOYSA-N

Smiles

NN(CC(=O)O)C(=O)N

InChI

InChI=1S/C3H7N3O3/c4-3(9)6(5)1-2(7)8/h1,5H2,(H2,4,9)(H,7,8)

Property Name	Value
Molecular Formula	C3H7N3O3
Molecular Weight	133.05
AlogP	-1.26
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	110.64
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C3H7N3O3

Molecular Weight

133.05

AlogP

-1.26

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

2.0

Polar Surface Area

110.64

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	138-07-8
NORMAN SUSDAT
FDA SRS	QW8X937AJ3
PubChem	67308
ChemSpider	60640.0

Resources

Reference

CAS NUMBER

138-07-8

NORMAN SUSDAT

FDA SRS

QW8X937AJ3

PubChem

67308

ChemSpider

60640.0


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

(1-(AMINOCARBONYL)HYDRAZINO)ACETIC ACID

Structure

Physicochemical Descriptors

Cross References