ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate

C11H15NO2S — CID 95358480

IUPACethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C11H15NO2S/c1-2-14-11(13)12-7-3-5-9(12)10-6-4-8-15-10/h4,6,8-9H,2-3,5,7H2,1H3/t9-/m1/s1
InChIKeyHJKGHVBJHCUNNG-SECBINFHSA-N
MW225.31 g/mol
LogP3.04
Rot. Bonds2

About ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate

ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate (PubChem CID 95358480) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
PubChem CID95358480
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Nameethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C11H15NO2S/c1-2-14-11(13)12-7-3-5-9(12)10-6-4-8-15-10/h4,6,8-9H,2-3,5,7H2,1H3/t9-/m1/s1
InChIKeyHJKGHVBJHCUNNG-SECBINFHSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327
ethyl 4-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]benzoate
CID 92500022
4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
CID 60937933
2-(aminomethyl)-2-ethyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
CID 115432019
ethyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]acetate
CID 86854600
2-amino-3-methoxy-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120984461
ethyl 4,5-dimethyl-2-[[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]thiophene-3-carboxylate
CID 31900636
2-[(2-methylpropan-2-yl)oxy]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 112604716
ethyl 4-[[(2-thiophen-2-ylazepane-1-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 22586941
3-chloro-2,2-dimethyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 63679619
2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 79853993

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate (CID 95358480) is ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate is CCOC(=O)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate?
The InChIKey is HJKGHVBJHCUNNG-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-2-14-11(13)12-7-3-5-9(12)10-6-4-8-15-10/h4,6,8-9H,2-3,5,7H2,1H3/t9-/m1/s1.
What are the key properties of ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate?
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 95358480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).