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

C10H11NO3S — CID 614397

IUPAC5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2cccs2)C1
InChIInChI=1S/C10H11NO3S/c12-9-4-7(10(13)14)5-11(9)6-8-2-1-3-15-8/h1-3,7H,4-6H2,(H,13,14)
InChIKeyHNEDKCTVOYJYQI-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.18
Rot. Bonds3

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

5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid (PubChem CID 614397) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
PubChem CID614397
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2cccs2)C1
InChIInChI=1S/C10H11NO3S/c12-9-4-7(10(13)14)5-11(9)6-8-2-1-3-15-8/h1-3,7H,4-6H2,(H,13,14)
InChIKeyHNEDKCTVOYJYQI-UHFFFAOYSA-N
XLogP1.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.18
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
4-[(3-Methylthiophen-2-yl)methylamino]-4-oxobutanoic acid
CID 2811524
(3S*,4S*)-4-isopropyl-1-[(3-methyl-2-thienyl)carbonyl]-3-pyrrolidinecarboxylic acid
CID 72856093
(3S*,4S*)-4-isopropyl-1-[(5-methyl-3-thienyl)carbonyl]-3-pyrrolidinecarboxylic acid
CID 72888623
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid
CID 760311
5-Oxo-1-[2-(2-thienyl)ethyl]pyrrolidine-3-carboxylic acid
CID 2742115
4-oxo-4-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)butanoic acid
CID 16776447
(3S)-3-methyl-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 95020157
(3S)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 125148456
1-(Thiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708687
1-(2-Thiophen-2-ylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710146
1-(Thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710730

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid (CID 614397) is 5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(Cc2cccs2)C1.
What is the InChIKey of 5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HNEDKCTVOYJYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-9-4-7(10(13)14)5-11(9)6-8-2-1-3-15-8/h1-3,7H,4-6H2,(H,13,14).
What are the key properties of 5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 614397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).