1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid

C15H20N2O3S — CID 63031694

IUPAC1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CC(=O)N2CCCC2c2cccs2)C1
InChIInChI=1S/C15H20N2O3S/c18-14(10-16-7-5-11(9-16)15(19)20)17-6-1-3-12(17)13-4-2-8-21-13/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,19,20)
InChIKeyYMQSQYZVMFZURA-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.82
Rot. Bonds4

About 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid

1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 63031694) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID63031694
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CC(=O)N2CCCC2c2cccs2)C1
InChIInChI=1S/C15H20N2O3S/c18-14(10-16-7-5-11(9-16)15(19)20)17-6-1-3-12(17)13-4-2-8-21-13/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,19,20)
InChIKeyYMQSQYZVMFZURA-UHFFFAOYSA-N
XLogP1.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 94871156
2-[(3R)-3-methylpiperazin-1-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 104975229
2-[(2R)-2-methylmorpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 124737947
3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550294
2-(3-pyrazol-1-ylazetidin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 95611948
2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 129428107
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51199552
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 62039896
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199
4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
CID 60937933
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 95763078
ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid (CID 63031694) is 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(CC(=O)N2CCCC2c2cccs2)C1.
What is the InChIKey of 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YMQSQYZVMFZURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-14(10-16-7-5-11(9-16)15(19)20)17-6-1-3-12(17)13-4-2-8-21-13/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,19,20).
What are the key properties of 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid?
1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 308.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).