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

C11H15NO2S — CID 3510647

IUPAC1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
SMILESCC(c1ccsc1)N1CCCC1C(=O)O
InChIInChI=1S/C11H15NO2S/c1-8(9-4-6-15-7-9)12-5-2-3-10(12)11(13)14/h4,6-8,10H,2-3,5H2,1H3,(H,13,14)
InChIKeyFMJFTOGRUKCLRK-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.36
Rot. Bonds3

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

1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid (PubChem CID 3510647) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
PubChem CID3510647
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
SMILESCC(c1ccsc1)N1CCCC1C(=O)O
InChIInChI=1S/C11H15NO2S/c1-8(9-4-6-15-7-9)12-5-2-3-10(12)11(13)14/h4,6-8,10H,2-3,5H2,1H3,(H,13,14)
InChIKeyFMJFTOGRUKCLRK-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3986635
1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid
CID 107707800
1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid
CID 3971131
1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid
CID 65056078
1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4587706
1-[(4-methoxyphenyl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid
CID 3894359
1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 5033531
1-[thiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3682736
1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056478
1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 3972842
1-[(5-chlorothiophen-2-yl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid
CID 5179677
1-[(4-phenylmethoxyphenyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 5115261

Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid (CID 3510647) is 1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid is CC(c1ccsc1)N1CCCC1C(=O)O.
What is the InChIKey of 1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FMJFTOGRUKCLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8(9-4-6-15-7-9)12-5-2-3-10(12)11(13)14/h4,6-8,10H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid?
1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3510647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).