(2R)-2-(2-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid

C18H16FNO4S — CID 68806942

IUPAC(2R)-2-(2-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CS[C@H](c2ccccc2F)N1C(=O)OCc1ccccc1
InChIInChI=1S/C18H16FNO4S/c19-14-9-5-4-8-13(14)16-20(15(11-25-16)17(21)22)18(23)24-10-12-6-2-1-3-7-12/h1-9,15-16H,10-11H2,(H,21,22)/t15?,16-/m1/s1
InChIKeyLBBYEACWSKMETE-OEMAIJDKSA-N
MW361.39 g/mol
LogP3.66
Rot. Bonds4

About (2R)-2-(2-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid

(2R)-2-(2-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 68806942) has the molecular formula C18H16FNO4S and a molecular weight of 361.39 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID68806942
Molecular FormulaC18H16FNO4S
Molecular Weight361.39 g/mol
Exact Mass361.08
IUPAC Name(2R)-2-(2-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CS[C@H](c2ccccc2F)N1C(=O)OCc1ccccc1
InChIInChI=1S/C18H16FNO4S/c19-14-9-5-4-8-13(14)16-20(15(11-25-16)17(21)22)18(23)24-10-12-6-2-1-3-7-12/h1-9,15-16H,10-11H2,(H,21,22)/t15?,16-/m1/s1
InChIKeyLBBYEACWSKMETE-OEMAIJDKSA-N
XLogP3.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
(2S,4S)-3-Benzyloxycarbonyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
CID 10638764
benzyl (2S,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10757398
benzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10992327
(S)-1-benzyloxycarbonyl-4-phenyl-3-pyrrolin-2-carboxylic acid
CID 12805580
benzyl-N-benzyloxycarbonyl serine
CID 13817623
2-(3-Fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one
CID 24712239
2-(Phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3714690
3-[(3,4-Difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one
CID 5016060
Benzyl 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 21357403
(2S)-4-[(4-fluorophenyl)methylidene]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 53650628
benzyl [(3R)-3-(3,5-difluorophenyl)-1-oxido-5-oxothiomorpholin-4-yl]acetate
CID 57974070

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R)-2-(2-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid (CID 68806942) is (2R)-2-(2-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R)-2-(2-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R)-2-(2-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CS[C@H](c2ccccc2F)N1C(=O)OCc1ccccc1.
What is the InChIKey of (2R)-2-(2-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LBBYEACWSKMETE-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H16FNO4S/c19-14-9-5-4-8-13(14)16-20(15(11-25-16)17(21)22)18(23)24-10-12-6-2-1-3-7-12/h1-9,15-16H,10-11H2,(H,21,22)/t15?,16-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
(2R)-2-(2-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 361.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 68806942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).