General Information of the Compound
Compound ID
CP0433024
Compound Name
ACETYLGLUTAMIC ACID
    Show/Hide
Structure
Formula
C7H11NO5
Molecular Weight
189.167
Canonical SMILES
CC(=O)N[C@@H](CCC(O)=O)C(O)=O
    Show/Hide
InChI
InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1
    Show/Hide
InChIKey
RFMMMVDNIPUKGG-YFKPBYRVSA-N
CAS
7728-87-2
Physicochemical Property
logP
-0.5595
Rotatable Bonds
5
Heavy Atom Count
13
Polar Areas
103.7
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
13

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 70914
SID: 16179229
ChEMBL ID
CHEMBL1234751
DrugBank ID
DB04075
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: PT06470, Olfactory receptor 51E2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000966 Hana3A Homo sapiens (Human)  1
1
EC50 = 0.23 nM
   TI
   LI
   LO
   TS