(S)-2-(Pyrrolidin-2-yl)acetic acid

Details

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Internal ID b68a54b7-0fd2-4a66-9844-b879d21b76b8
Taxonomy Organoheterocyclic compounds > Pyrrolidines
IUPAC Name 2-[(2S)-pyrrolidin-2-yl]acetic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChI Key ADSALMJPJUKESW-YFKPBYRVSA-N
Popularity 14 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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(S)-2-(Pyrrolidin-2-yl)acetic acid
(S)-homoproline
2-[(2S)-pyrrolidin-2-yl]acetic acid
(S)-2-(2-PYRROLIDINYL)ACETIC ACID
(S)-PYRROLIDIN-2-YL-ACETIC ACID
2-PYRROLIDINEACETIC ACID, (2S)-
(S)-2-Pyrrolidineacetic acid
Homoproline, (S)-
L-(+)-Homoproline
Homoproline, (+)-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of (S)-2-(Pyrrolidin-2-yl)acetic 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

Cross-Links

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PubChem 2761541
LOTUS LTS0207662
wikiData Q27274001