General Information of the Compound
Compound ID
CP0386952
Compound Name
2-[(1S,2S)-2-aminocyclopropyl]acetic acid
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Structure
Formula
C5H9NO2
Molecular Weight
115.132
Canonical SMILES
N[C@H]1C[C@H]1CC(O)=O
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InChI
InChI=1S/C5H9NO2/c6-4-1-3(4)2-5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1
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InChIKey
ZHRWZBGJTSPCGJ-IMJSIDKUSA-N
Physicochemical Property
logP
-0.1917
Rotatable Bonds
2
Heavy Atom Count
8
Polar Areas
63.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
8

"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: 55285850
ChEMBL ID
CHEMBL3040189
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: PT02527, Sodium- and chloride-dependent betaine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5480 nM
   TI
   LI
   LO
   TS
Protein ID: PT02528, Sodium- and chloride-dependent GABA transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT05696, Sodium- and chloride-dependent GABA transporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 36900 nM
   TI
   LI
   LO
   TS
Protein ID: PT02526, Sodium- and chloride-dependent GABA transporter 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 13900 nM
   TI
   LI
   LO
   TS