ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate

C13H19NO2S — CID 55236129

IUPACethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CCc1cccs1
InChIInChI=1S/C13H19NO2S/c1-2-16-13(15)12-6-3-8-14(12)9-7-11-5-4-10-17-11/h4-5,10,12H,2-3,6-9H2,1H3
InChIKeyUTPNLPLHDODFPS-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.32
Rot. Bonds5

About ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate

ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate (PubChem CID 55236129) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate
PubChem CID55236129
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Nameethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CCc1cccs1
InChIInChI=1S/C13H19NO2S/c1-2-16-13(15)12-6-3-8-14(12)9-7-11-5-4-10-17-11/h4-5,10,12H,2-3,6-9H2,1H3
InChIKeyUTPNLPLHDODFPS-UHFFFAOYSA-N
XLogP2.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate
CID 55035250
1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95758507
ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate
CID 78997614
ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate
CID 62028747
ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate
CID 51681583
ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate
CID 62028361
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
ethyl (2S)-1-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-2-carboxylate
CID 138628046
ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62028172
ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate
CID 115280703
ethyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-2-carboxylate
CID 62326636

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate (CID 55236129) is ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1CCc1cccs1.
What is the InChIKey of ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate?
The InChIKey is UTPNLPLHDODFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-16-13(15)12-6-3-8-14(12)9-7-11-5-4-10-17-11/h4-5,10,12H,2-3,6-9H2,1H3.
What are the key properties of ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate?
ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate has a molecular weight of 253.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 55236129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).