3-fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid

C12H14FNO3S — CID 119258266

IUPAC3-fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(CCc1ccsc1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C12H14FNO3S/c13-12(11(16)17)4-5-14(8-12)10(15)2-1-9-3-6-18-7-9/h3,6-7H,1-2,4-5,8H2,(H,16,17)
InChIKeyPFXMBNHQIODSRH-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.71
Rot. Bonds4

About 3-fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 119258266) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is 3-fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID119258266
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC Name3-fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(CCc1ccsc1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C12H14FNO3S/c13-12(11(16)17)4-5-14(8-12)10(15)2-1-9-3-6-18-7-9/h3,6-7H,1-2,4-5,8H2,(H,16,17)
InChIKeyPFXMBNHQIODSRH-UHFFFAOYSA-N
XLogP1.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Oxo-1-[2-(2-thienyl)ethyl]pyrrolidine-3-carboxylic acid
CID 2742115
Boc-(+/-)-trans-4-(3-thienyl)-pyrrolidine-3-carboxylic acid
CID 56971989
(3S)-3-methyl-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 95020157
(3R)-1-(2-thiophen-3-ylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 129379112
(3R,4R)-4-propyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxylic acid
CID 164626450
(3R,4R)-4-propan-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxylic acid
CID 164643027
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-3-ylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710683
1-(2-Thiophen-3-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 64055978
3-Fluoro-1-(4-thiophen-2-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 119258018
3-Fluoro-1-(2-methyl-2-thiophen-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119258376

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid (CID 119258266) is 3-fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid is O=C(CCc1ccsc1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PFXMBNHQIODSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3S/c13-12(11(16)17)4-5-14(8-12)10(15)2-1-9-3-6-18-7-9/h3,6-7H,1-2,4-5,8H2,(H,16,17).
What are the key properties of 3-fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).