General Information of the Compound
Compound ID
CP0044059
Compound Name
(S)-Piperidine-3-carboxylic acid
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Synonyms
(3S)-(+)-piperidine-3-carboxylic acid
(3S)-3-piperidinecarboxylic acid
(3S)-hexahydronicotinic acid
(3S)-nipecotic acid
(3S)-piperidine-3-carboxylic acid
(S)-(+)-3-Piperidinecarboxylic acid
(S)-(+)-Nipecotic acid
(S)-(+)-PIPERIDINE-3-CARBOXYLIC ACID
(S)-Piperidine-3-carboxylic acid
(S)-hexahydronicotinic acid
(S)-nipecotic acid
3-Piperidinecarboxylic acid, (3S)-
59045-82-8
CHEBI:222169
L(+)-NIPECOTIC ACID
L-PIPERIDINE-3-CARBOXYLIC ACID
UNII-2635N2PS4Q
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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-/m0/s1
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InChIKey
XJLSEXAGTJCILF-YFKPBYRVSA-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: 6575388
ChEMBL ID
CHEMBL77484
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: 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 = 74131.02 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (S)-Piperidine-3-carboxylic acid )
Drug Name (S)-Piperidine-3-carboxylic acid
Target(s)
GABA transporter GAT-1 (SLC6A1)
Inhibitor