(2S,5S)-2-butyl-5-propylpyrrolidine

Details

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Internal ID 26947388-6c30-4028-8c9c-b304e2f5e987
Taxonomy Organoheterocyclic compounds > Pyrrolidines
IUPAC Name (2S,5S)-2-butyl-5-propylpyrrolidine
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H23N/c1-3-5-7-11-9-8-10(12-11)6-4-2/h10-12H,3-9H2,1-2H3/t10-,11-/m0/s1
InChI Key ZYYRGIIKYRSMCS-QWRGUYRKSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C11H23N
Molecular Weight 169.31 g/mol
Exact Mass 169.183049738 g/mol
Topological Polar Surface Area (TPSA) 12.00 Ų
XlogP 3.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2S,5S)-2-butyl-5-propylpyrrolidine

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 96.03% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.67% 96.09%
CHEMBL2581 P07339 Cathepsin D 93.99% 98.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.77% 97.09%
CHEMBL1907589 P17787 Neuronal acetylcholine receptor; alpha4/beta2 91.59% 94.55%
CHEMBL2996 Q05655 Protein kinase C delta 90.50% 97.79%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 86.56% 92.86%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.02% 94.45%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.21% 97.29%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 83.75% 100.00%
CHEMBL226 P30542 Adenosine A1 receptor 83.55% 95.93%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 83.52% 97.64%
CHEMBL5203 P33316 dUTP pyrophosphatase 83.38% 99.18%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.19% 96.95%
CHEMBL4462 Q8IXJ6 NAD-dependent deacetylase sirtuin 2 82.93% 90.24%
CHEMBL299 P17252 Protein kinase C alpha 82.75% 98.03%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 81.14% 91.81%
CHEMBL255 P29275 Adenosine A2b receptor 81.09% 98.59%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 81.01% 95.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 16109755
LOTUS LTS0200651
wikiData Q105386569