ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate

C17H23NO2 — CID 146158159

IUPACethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate
SMILESCCOC(=O)[C@@]12CCCC1N(Cc1ccccc1)CC2
InChIInChI=1S/C17H23NO2/c1-2-20-16(19)17-10-6-9-15(17)18(12-11-17)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3/t15?,17-/m1/s1
InChIKeyTVPPRWSKXCFUPV-OMOCHNIRSA-N
MW273.38 g/mol
LogP2.99
Rot. Bonds4

About ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate

ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate (PubChem CID 146158159) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate.

Molecular Properties

Compound Nameethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate
PubChem CID146158159
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nameethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate
SMILESCCOC(=O)[C@@]12CCCC1N(Cc1ccccc1)CC2
InChIInChI=1S/C17H23NO2/c1-2-20-16(19)17-10-6-9-15(17)18(12-11-17)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3/t15?,17-/m1/s1
InChIKeyTVPPRWSKXCFUPV-OMOCHNIRSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate
CID 177342640
5-O-tert-butyl 3a-O-ethyl (3aR,6aS)-1-benzyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole-3a,5-dicarboxylate
CID 126455584
ethyl (3aR)-1-(pyridine-2-carbonyl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate
CID 132523842
ethyl (4aS)-2-oxo-1-[(1S)-1-phenylethyl]-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridine-4a-carboxylate
CID 178162192
ethyl 1-benzyl-4-cyano-2-methylpiperidine-4-carboxylate
CID 53395322
ethyl (3aR,7aS)-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,6,7,7a-hexahydro-2H-indole-3a-carboxylate
CID 167956985
ethyl 1-benzyl-3-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 123926319
ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 59511336
diethyl 1-benzyl-3-methylidenepyrrolidine-2,2-dicarboxylate
CID 102257993
ethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate
CID 54252728
ethyl (E)-3-[(2R)-1-benzylpyrrolidin-2-yl]prop-2-enoate
CID 100980748
ethyl 3-benzyl-9-(oxomethylidene)-3-azabicyclo[3.3.1]nonane-1-carboxylate
CID 141310604

Frequently Asked Questions

What is the IUPAC name of ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate?
The IUPAC name of ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate (CID 146158159) is ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate.
What is the SMILES notation for ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate?
The canonical SMILES for ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate is CCOC(=O)[C@@]12CCCC1N(Cc1ccccc1)CC2.
What is the InChIKey of ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate?
The InChIKey is TVPPRWSKXCFUPV-OMOCHNIRSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-20-16(19)17-10-6-9-15(17)18(12-11-17)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3/t15?,17-/m1/s1.
What are the key properties of ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate?
ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate is sourced from PubChem (CID 146158159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).