2-Pyrrolidineacetic acid

Details

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Internal ID a791dcaa-5c80-4537-a947-a64b52119e4b
Taxonomy Organoheterocyclic compounds > Pyrrolidines
IUPAC Name 2-pyrrolidin-2-ylacetic acid
SMILES (Canonical) C1CC(NC1)CC(=O)O
SMILES (Isomeric) C1CC(NC1)CC(=O)O
InChI InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)
InChI Key ADSALMJPJUKESW-UHFFFAOYSA-N
Popularity 203 references in papers

Physical and Chemical Properties

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Molecular Formula C6H11NO2
Molecular Weight 129.16 g/mol
Exact Mass 129.078978594 g/mol
Topological Polar Surface Area (TPSA) 49.30 Ų
XlogP -2.40

Synonyms

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2-(Pyrrolidin-2-yl)acetic acid
2-Pyrrolidineacetic acid
(+/-)-Homoproline
beta-Homoproline
2-pyrrolidin-2-ylacetic acid
PYRROLIDIN-2-YL-ACETIC ACID
Pyrrolidine-2-acetic acid
C7315YL6ZG
2-Pyrrolidinyl acetic acid
UNII-C7315YL6ZG
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2-Pyrrolidineacetic acid

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3137262 O60341 LSD1/CoREST complex 91.99% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.96% 96.09%
CHEMBL2581 P07339 Cathepsin D 84.41% 98.95%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 84.01% 93.03%
CHEMBL3392948 Q9NP59 Solute carrier family 40 member 1 83.09% 95.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.21% 94.45%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 81.59% 93.00%
CHEMBL253 P34972 Cannabinoid CB2 receptor 81.11% 97.25%
CHEMBL4979 P13866 Sodium/glucose cotransporter 1 80.68% 98.24%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Arnica montana
Melampodium divaricatum

Cross-Links

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PubChem 123784
LOTUS LTS0245282
wikiData Q27275271