General Information of the Compound
Compound ID
CP0039003
Compound Name
2-(carboxymethylamino)-2-oxoacetic acid
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Synonyms
1h2k
2-((Carboxymethyl)amino)-2-oxoacetic acid
2-(carboxymethylamino)-2-oxoacetic acid
2-oxo-3-azaglutaric acid
2oq6
2xml
3hqr
4958AE
4idz
4nrp
5262-39-5
AC1MIVD0
BDBM26106
C4H5NO5
CHEBI:44482
CHEMBL90852
CTK8F0807
DTXSID20200601
Glycine, N-(carboxycarbonyl)-
Glycine,N-(carboxycarbonyl)-
MolPort-000-141-021
N-(carboxycarbonyl)glycine
N-OXALYOLGLYCINE
N-Oxalylglycine
N-Oxalylglycine, &gt
N-oxalyl glycine, 1a
OGA
Oxaloglycine
Oxalylglycine
SCHEMBL435820
UNII-VVW38EB8YS
VVW38EB8YS
ZINC1534133
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Structure
Formula
C4H5NO5
Molecular Weight
147.086
Canonical SMILES
OC(=O)CNC(=O)C(O)=O
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InChI
InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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InChIKey
BIMZLRFONYSTPT-UHFFFAOYSA-N
CAS
5262-39-5
Physicochemical Property
logP
-1.7282
Rotatable Bonds
2
Heavy Atom Count
10
Polar Areas
103.7
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
10

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3080614
SID: 15041460
ChEMBL ID
CHEMBL90852
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02612, Egl nine homolog 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 5600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6200 nM
2 IC50 = 8000 nM
3 IC50 = 18500 nM
4 IC50 = 26000 nM
5 Kd = 2800 nM
6 Kd = 3100 nM
7 Kd = 3400 nM
8 Ki = 8000 nM
Protein ID: PT01988, Prolyl hydroxylase EGLN2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 842 nM
2 IC50 = 2100 nM
Clinical Information about the Compound
Drug 1 ( 2-(carboxymethylamino)-2-oxoacetic acid )
Drug Name 2-(carboxymethylamino)-2-oxoacetic acid
Target(s)
HIF-prolyl hydroxylase 1 (HPH-1)
Inhibitor