3-fluoro-1-(2-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid

C12H14FNO3S — CID 119258612

IUPAC3-fluoro-1-(2-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CCC(F)(C(=O)O)C1)c1ccsc1
InChIInChI=1S/C12H14FNO3S/c1-8(9-2-5-18-6-9)10(15)14-4-3-12(13,7-14)11(16)17/h2,5-6,8H,3-4,7H2,1H3,(H,16,17)
InChIKeyNUVVATUFZJIWOB-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.88
Rot. Bonds3

About 3-fluoro-1-(2-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(2-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 119258612) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is 3-fluoro-1-(2-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(2-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID119258612
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC Name3-fluoro-1-(2-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CCC(F)(C(=O)O)C1)c1ccsc1
InChIInChI=1S/C12H14FNO3S/c1-8(9-2-5-18-6-9)10(15)14-4-3-12(13,7-14)11(16)17/h2,5-6,8H,3-4,7H2,1H3,(H,16,17)
InChIKeyNUVVATUFZJIWOB-UHFFFAOYSA-N
XLogP1.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S*,4S*)-4-isopropyl-1-[(3-methyl-2-thienyl)carbonyl]-3-pyrrolidinecarboxylic acid
CID 72856093
Boc-(+/-)-trans-4-(3-thienyl)-pyrrolidine-3-carboxylic acid
CID 56971989
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 71857986
(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-(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-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119258266
3-Fluoro-1-(2-methyl-2-thiophen-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119258376
3-Fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258404

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(2-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid (CID 119258612) is 3-fluoro-1-(2-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(2-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(2-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid is CC(C(=O)N1CCC(F)(C(=O)O)C1)c1ccsc1.
What is the InChIKey of 3-fluoro-1-(2-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NUVVATUFZJIWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3S/c1-8(9-2-5-18-6-9)10(15)14-4-3-12(13,7-14)11(16)17/h2,5-6,8H,3-4,7H2,1H3,(H,16,17).
What are the key properties of 3-fluoro-1-(2-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(2-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).