3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid

C11H15NO2S — CID 119134694

IUPAC3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCCC1c1ccsc1
InChIInChI=1S/C11H15NO2S/c13-11(14)3-6-12-5-1-2-10(12)9-4-7-15-8-9/h4,7-8,10H,1-3,5-6H2,(H,13,14)
InChIKeyBABIPUDCGCCMRP-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.36
Rot. Bonds4

About 3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid

3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid (PubChem CID 119134694) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid
PubChem CID119134694
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCCC1c1ccsc1
InChIInChI=1S/C11H15NO2S/c13-11(14)3-6-12-5-1-2-10(12)9-4-7-15-8-9/h4,7-8,10H,1-3,5-6H2,(H,13,14)
InChIKeyBABIPUDCGCCMRP-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087259
N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087258
1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 47053590
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one
CID 94632074
2-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 47035108
3-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propanoic acid
CID 125146594
(2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine
CID 51946772
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine
CID 51119626

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid (CID 119134694) is 3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid is O=C(O)CCN1CCCC1c1ccsc1.
What is the InChIKey of 3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid?
The InChIKey is BABIPUDCGCCMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-11(14)3-6-12-5-1-2-10(12)9-4-7-15-8-9/h4,7-8,10H,1-3,5-6H2,(H,13,14).
What are the key properties of 3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid?
3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid has a molecular weight of 225.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 119134694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).