ethyl (1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate

Details

• Internal ID: 1a678ce0-1a4e-43b6-a888-00bbc530c965
• Taxonomy: Organoheterocyclic compounds > Pyrrolizidines
• IUPAC Name: ethyl (1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
• SMILES (Canonical): CCOC(=O)C1CCN2C1CCC2
• SMILES (Isomeric): CCOC(=O)[C@@H]1CCN2[C@@H]1CCC2
• InChI: InChI=1S/C10H17NO2/c1-2-13-10(12)8-5-7-11-6-3-4-9(8)11/h8-9H,2-7H2,1H3/t8-,9-/m1/s1
• InChI Key: FBZMBOHWVBVEDR-RKDXNWHRSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₇NO₂
• Molecular Weight: 183.25 g/mol
• Exact Mass: 183.125928785 g/mol
• Topological Polar Surface Area (TPSA): 29.50 Ų
• XlogP: 1.20

Synonyms

• 34951-60-5
• DTXSID90459760

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.81%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.84%	97.25%
CHEMBL2581	P07339	Cathepsin D	91.57%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.88%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.05%	95.89%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.46%	95.56%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	82.31%	93.03%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	81.09%	98.33%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	80.66%	94.33%

Plants that contains it

• Osyris alba

Cross-Links

• PubChem: 11240842
• LOTUS: LTS0060080
• wikiData: Q82283604