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

C14H21NO2S — CID 106978911

IUPAC2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1CCc1ccsc1
InChIInChI=1S/C14H21NO2S/c1-2-6-14(13(16)17)7-3-8-15(14)9-4-12-5-10-18-11-12/h5,10-11H,2-4,6-9H2,1H3,(H,16,17)
InChIKeyMELOWAVTFUBGBL-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.01
Rot. Bonds6

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

2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid (PubChem CID 106978911) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
PubChem CID106978911
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1CCc1ccsc1
InChIInChI=1S/C14H21NO2S/c1-2-6-14(13(16)17)7-3-8-15(14)9-4-12-5-10-18-11-12/h5,10-11H,2-4,6-9H2,1H3,(H,16,17)
InChIKeyMELOWAVTFUBGBL-UHFFFAOYSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 83080277
2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid
CID 104598702
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889
1-(2-methoxyethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979011
1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978791
1-(2-ethylsulfanylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979017
1-(2-amino-2-oxoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978992
1-[3-(cyclopropylamino)-3-oxopropyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978859
1-[3-(methylcarbamoylamino)-3-oxopropyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978985
1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979055
1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979102
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979151

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid (CID 106978911) is 2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1CCc1ccsc1.
What is the InChIKey of 2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is MELOWAVTFUBGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-6-14(13(16)17)7-3-8-15(14)9-4-12-5-10-18-11-12/h5,10-11H,2-4,6-9H2,1H3,(H,16,17).
What are the key properties of 2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid?
2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 267.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).