General Information of the Compound
Compound ID
CP0059522
Compound Name
(R)-Piperidine-3-carboxylic acid
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Synonyms
(-)-hexahydronicotinic acid
(-)-nipecotic acid
(3R)-(-)-piperidine-3-carboxylic acid
(3R)-hexahydronicotinic acid
(3R)-nipecotic acid
(3R)-piperidine-3-carboxylic acid
(R)-(-)-3-Piperidinecarboxylic acid
(R)-(-)-Nipecotic acid
(R)-(-)-piperidine-3-carboxylic acid
(R)-hexahydronicotinic acid
(R)-nipecotic acid
(R)-piperidine-3-carboxylic acid
(r)-3-piperidinecarboxylic acid
25137-00-2
3-Piperidinecarboxylic acid, (R)-
CHEMBL77575
D(-)-Nipecotic acid
r-(-)-3-piperidinecarboxylic acid
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Structure
Formula
C6H11NO2
Molecular Weight
129.159
Canonical SMILES
OC(=O)[C@@H]1CCCNC1
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InChI
InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
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InChIKey
XJLSEXAGTJCILF-RXMQYKEDSA-N
Physicochemical Property
logP
0.0706
Rotatable Bonds
1
Heavy Atom Count
9
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
9

"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: 1796509
ChEMBL ID
CHEMBL77575
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: 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 = 5900 nM
   TI
   LI
   LO
   TS
CL000880 COS Chlorocebus aethiops (Green monkey)  1
1
IC50 = 5960 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5900 nM
2 IC50 = 81500 nM
Protein ID: PT03285, Sodium- and chloride-dependent GABA transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 8511.38 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6456.54 nM
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 = 19498.45 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 = 16218.1 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 = 51000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 51000 nM
Clinical Information about the Compound
Drug 1 ( (R)-nipecotic acid )
Drug Name (R)-nipecotic acid
Target(s)
GABA transporter GAT-1 (SLC6A1)
Inhibitor