2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid

C13H19NO2S — CID 83080277

IUPAC2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CCc1ccsc1
InChIInChI=1S/C13H19NO2S/c1-2-13(12(15)16)6-3-7-14(13)8-4-11-5-9-17-10-11/h5,9-10H,2-4,6-8H2,1H3,(H,15,16)
InChIKeyJUDZPQPDUBLNGB-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.62
Rot. Bonds5

About 2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid (PubChem CID 83080277) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
PubChem CID83080277
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CCc1ccsc1
InChIInChI=1S/C13H19NO2S/c1-2-13(12(15)16)6-3-7-14(13)8-4-11-5-9-17-10-11/h5,9-10H,2-4,6-8H2,1H3,(H,15,16)
InChIKeyJUDZPQPDUBLNGB-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 106978911
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889
2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid
CID 104598702
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070850
2-ethyl-1-octylpyrrolidine-2-carboxylic acid
CID 83079650
1-decyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83080199
1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83080806
1-[[4-(dimethylamino)phenyl]methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83080124
1-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83063395
2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
CID 83070563
2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64832567

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid (CID 83080277) is 2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1CCc1ccsc1.
What is the InChIKey of 2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JUDZPQPDUBLNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-13(12(15)16)6-3-7-14(13)8-4-11-5-9-17-10-11/h5,9-10H,2-4,6-8H2,1H3,(H,15,16).
What are the key properties of 2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 253.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).