5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxylic acid

C11H13NO3S — CID 2742115

IUPAC5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CCc2cccs2)C1
InChIInChI=1S/C11H13NO3S/c13-10-6-8(11(14)15)7-12(10)4-3-9-2-1-5-16-9/h1-2,5,8H,3-4,6-7H2,(H,14,15)
InChIKeyHMKNZMMFHYMMGE-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.22
Rot. Bonds4

About 5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxylic acid

5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxylic acid (PubChem CID 2742115) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxylic acid
PubChem CID2742115
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CCc2cccs2)C1
InChIInChI=1S/C11H13NO3S/c13-10-6-8(11(14)15)7-12(10)4-3-9-2-1-5-16-9/h1-2,5,8H,3-4,6-7H2,(H,14,15)
InChIKeyHMKNZMMFHYMMGE-UHFFFAOYSA-N
XLogP1.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Bis(thiophen-2-ylmethyl)amino]-4-oxobutanoic acid
CID 574469
5-Oxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylic acid
CID 614397
3-Methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione
CID 13455290
(3S)-3-methyl-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 95020157
2,5-Pyrrolidinedione, 1-[2-(2-thienyl)ethyl]-
CID 2732267
1-(3-Thiophen-2-ylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709780
1-(2-Thiophen-2-ylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710146
1-(2-Thiophen-2-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63775159
1-(3-Thiophen-2-ylprop-2-enoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 76951395
3-Fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731719
3-Fluoro-1-(4-thiophen-2-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 119258018
3-Fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119258266

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxylic acid (CID 2742115) is 5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(CCc2cccs2)C1.
What is the InChIKey of 5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HMKNZMMFHYMMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c13-10-6-8(11(14)15)7-12(10)4-3-9-2-1-5-16-9/h1-2,5,8H,3-4,6-7H2,(H,14,15).
What are the key properties of 5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2742115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).