3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid

C10H11FN2O3S — CID 119258340

IUPAC3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1ncc(C(=O)N2CCC(F)(C(=O)O)C2)s1
InChIInChI=1S/C10H11FN2O3S/c1-6-12-4-7(17-6)8(14)13-3-2-10(11,5-13)9(15)16/h4H,2-3,5H2,1H3,(H,15,16)
InChIKeyCEMFTSHXCHBJJJ-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.09
Rot. Bonds2

About 3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119258340) has the molecular formula C10H11FN2O3S and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119258340
Molecular FormulaC10H11FN2O3S
Molecular Weight258.27 g/mol
Exact Mass258.05
IUPAC Name3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1ncc(C(=O)N2CCC(F)(C(=O)O)C2)s1
InChIInChI=1S/C10H11FN2O3S/c1-6-12-4-7(17-6)8(14)13-3-2-10(11,5-13)9(15)16/h4H,2-3,5H2,1H3,(H,15,16)
InChIKeyCEMFTSHXCHBJJJ-UHFFFAOYSA-N
XLogP1.09
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258190
3-fluoro-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120688243
3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731719
3-fluoro-1-[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529772
3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258640
3-fluoro-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529696
(3-methylpyrrolidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 170767853
[4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 119563984
1-(3,4-dimethylbenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259545
1-(2-chloro-4,5-dimethylbenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 120529626
(3S)-1-(2-ethyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124684594
(3S)-1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125132297

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid (CID 119258340) is 3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid is Cc1ncc(C(=O)N2CCC(F)(C(=O)O)C2)s1.
What is the InChIKey of 3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is CEMFTSHXCHBJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3S/c1-6-12-4-7(17-6)8(14)13-3-2-10(11,5-13)9(15)16/h4H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).