3-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid

C11H12FNO3S — CID 119258404

IUPAC3-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccsc1C(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C11H12FNO3S/c1-7-2-5-17-8(7)9(14)13-4-3-11(12,6-13)10(15)16/h2,5H,3-4,6H2,1H3,(H,15,16)
InChIKeyWJTQXMUXVHKQSJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.70
Rot. Bonds2

About 3-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119258404) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119258404
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC Name3-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccsc1C(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C11H12FNO3S/c1-7-2-5-17-8(7)9(14)13-4-3-11(12,6-13)10(15)16/h2,5H,3-4,6H2,1H3,(H,15,16)
InChIKeyWJTQXMUXVHKQSJ-UHFFFAOYSA-N
XLogP1.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Oxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylic acid
CID 614397
3-Methyl-1-(3-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 46944072
3-[(5-Methylthiophen-3-yl)formamido]propanoic acid
CID 173207395
(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
N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine
CID 61008719
{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[(5-methyl-3-thienyl)carbonyl]-3-pyrrolidinyl}methanol
CID 72919065
(3R,4S)-4-(4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 16668527
(3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260473
(3S)-3-methyl-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 95020157
(3R,4S)-4-(2-Fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 95807308

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 119258404) is 3-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid is Cc1ccsc1C(=O)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WJTQXMUXVHKQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c1-7-2-5-17-8(7)9(14)13-4-3-11(12,6-13)10(15)16/h2,5H,3-4,6H2,1H3,(H,15,16).
What are the key properties of 3-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).