General Information of the Compound
Compound ID
CP0324831
Compound Name
2-pyrrolidin-3-ylacetic acid
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Synonyms
2-(Pyrrolidin-3yl)acetic acid
2-(pyrrolidin-3-yl)acetic acid
2-pyrrolidin-3-ylacetic Acid
3-PYRROLIDINEACETIC ACID
3-Pyrrolidineaceticacid
3-pyrrolidineacetic acid hydrochloride
3-pyrrolidineacetic acid, AldrichCPR
89203-64-5
AC1N49FZ
ACMC-20liyx
ACMC-20mq1s
AKOS005264421
BDBM50013224
CHEMBL351355
CTK3E7957
Homo-beta-proline
KS-000003FH
MCULE-3887627276
MolPort-001-729-044
OUENRUZPZZFMCA-UHFFFAOYSA-N
Pyrrolidin-3-yl-acetic acid
RP19856
SCHEMBL374930
pyrrolidin-3-ylacetic acid
pyrrolidine-3-acetic acid
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Structure
Formula
C6H11NO2
Molecular Weight
129.159
Canonical SMILES
OC(=O)CC1CCNC1
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InChI
InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)
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InChIKey
OUENRUZPZZFMCA-UHFFFAOYSA-N
Physicochemical Property
logP
0.0706
Rotatable Bonds
2
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: 4125298
SID: 16876958
ChEMBL ID
CHEMBL351355
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 = 4073.8 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Pyrrolidin-3-yl-acetic acid )
Drug Name Pyrrolidin-3-yl-acetic acid
Target(s)
GABA(A) receptor alpha-1 (GABRA1)
Inhibitor