General Information of the Compound
Compound ID
CP0542519
Compound Name
pyrrolidine-3-carboxylic acid
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Structure
Formula
C5H9NO2
Molecular Weight
115.132
Canonical SMILES
OC(=O)C1CCNC1
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InChI
InChI=1S/C5H9NO2/c7-5(8)4-1-2-6-3-4/h4,6H,1-3H2,(H,7,8)
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InChIKey
JAEIBKXSIXOLOL-UHFFFAOYSA-N
CAS
59378-87-9
Physicochemical Property
logP
-0.3195
Rotatable Bonds
1
Heavy Atom Count
8
Polar Areas
49.33
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: 3034645
ChEMBL ID
CHEMBL4586784
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 = 67608.3 nM
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