General Information of the Compound
Compound ID
CP0386932
Compound Name
(2R)-2-hydroxy-2-[(2R)-pyrrolidin-2-yl]acetic acid
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Structure
Formula
C6H11NO3
Molecular Weight
145.158
Canonical SMILES
O[C@H]([C@H]1CCCN1)C(O)=O
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InChI
InChI=1S/C6H11NO3/c8-5(6(9)10)4-2-1-3-7-4/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5-/m1/s1
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InChIKey
SKBCRDTZCCZJRT-RFZPGFLSSA-N
Physicochemical Property
logP
-0.8161
Rotatable Bonds
2
Heavy Atom Count
10
Polar Areas
69.56
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: 118727495
ChEMBL ID
CHEMBL3398494
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: PT03705, Sodium- and chloride-dependent GABA transporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 36307.81 nM
   TI
   LI
   LO
   TS
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 14125.38 nM
   TI
   LI
   LO
   TS