General Information of the Compound
| Compound ID |
CP0171598
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(RS)-nipecotic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
( inverted exclamation markA)-Nipecotic acid
(RS)-nipecotic acid
(y)-Nipecotic acid
3-carboxypiperidine
498-95-3
60252-41-7
CHEBI:116931
CHEMBL277498
D-nipecotic acid-HCl
EINECS 207-873-9
MFCD00005992
NIPECOTIC ACID
Nipecotic
Piperidine-3-carboxylic acid
PubChem6793
SR-01000075612
XJLSEXAGTJCILF-UHFFFAOYSA-N
dl-piperidine-3-carboxylic acid
h-dl-nip-oh
h-dl-pic(3)-oh
h-nip-oh
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C6H11NO2
|
||||||||||||||||||
| Molecular Weight |
129.159
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CCCNC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJLSEXAGTJCILF-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
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
Protein ID: PT03285, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3
Clinical Information about the Compound