ethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate

C13H19NO2S — CID 51074245

IUPACethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCCC1c1cccs1
InChIInChI=1S/C13H19NO2S/c1-2-16-13(15)7-9-14-8-3-5-11(14)12-6-4-10-17-12/h4,6,10-11H,2-3,5,7-9H2,1H3
InChIKeyXGPDPJDWDBKLNG-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.84
Rot. Bonds5

About ethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate

ethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate (PubChem CID 51074245) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is ethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate
PubChem CID51074245
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Nameethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCCC1c1cccs1
InChIInChI=1S/C13H19NO2S/c1-2-16-13(15)7-9-14-8-3-5-11(14)12-6-4-10-17-12/h4,6,10-11H,2-3,5,7-9H2,1H3
InChIKeyXGPDPJDWDBKLNG-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-cyano-3-(2-thiophen-2-ylpyrrolidin-1-yl)prop-2-enoate
CID 3492859
(Methyl-thiophen-2-ylmethyl-thiocarbamoylsulfanyl)-acetic acid butyl ester
CID 3110791
ethyl (E)-2-cyano-3-(2-thiophen-2-ylpyrrolidin-1-yl)prop-2-enoate
CID 2805708
1-[2-(5-Methylthiophen-2-yl)pyrrolidin-1-yl]-3-sulfanylpropan-1-one
CID 177681097
Methyl 3-[(3-methoxy-3-oxopropyl)-(thiophen-2-ylmethyl)amino]propanoate
CID 54338349
tert-butyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 101957249
2,2,2-Trifluoroethyl 2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 65173581
Methyl 3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanoate
CID 47007637
Methyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate
CID 51074032
Ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate
CID 51077088
Ethyl N-(2-thienylmethyl)-beta-alaninate hydrochloride
CID 75485375
tert-Butyl 2-(thiophen-2-yl)pyrrolidine-1-carboxylate
CID 10753392

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate (CID 51074245) is ethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate is CCOC(=O)CCN1CCCC1c1cccs1.
What is the InChIKey of ethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate?
The InChIKey is XGPDPJDWDBKLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-16-13(15)7-9-14-8-3-5-11(14)12-6-4-10-17-12/h4,6,10-11H,2-3,5,7-9H2,1H3.
What are the key properties of ethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate?
ethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate has a molecular weight of 253.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 51074245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).