methyl 4-(2-fluorophenoxy)-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate

C15H20FNO5S — CID 90620378

IUPACmethyl 4-(2-fluorophenoxy)-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2F)CN1S(=O)(=O)C(C)C
InChIInChI=1S/C15H20FNO5S/c1-10(2)23(19,20)17-9-11(8-13(17)15(18)21-3)22-14-7-5-4-6-12(14)16/h4-7,10-11,13H,8-9H2,1-3H3
InChIKeyPGBBSDTZSAQKRE-UHFFFAOYSA-N
MW345.39 g/mol
LogP1.56
Rot. Bonds5

About methyl 4-(2-fluorophenoxy)-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate

methyl 4-(2-fluorophenoxy)-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate (PubChem CID 90620378) has the molecular formula C15H20FNO5S and a molecular weight of 345.39 g/mol. Its IUPAC name is methyl 4-(2-fluorophenoxy)-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluorophenoxy)-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate
PubChem CID90620378
Molecular FormulaC15H20FNO5S
Molecular Weight345.39 g/mol
Exact Mass345.10
IUPAC Namemethyl 4-(2-fluorophenoxy)-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2F)CN1S(=O)(=O)C(C)C
InChIInChI=1S/C15H20FNO5S/c1-10(2)23(19,20)17-9-11(8-13(17)15(18)21-3)22-14-7-5-4-6-12(14)16/h4-7,10-11,13H,8-9H2,1-3H3
InChIKeyPGBBSDTZSAQKRE-UHFFFAOYSA-N
XLogP1.56
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-4-phenoxypyrrolidine-2-carboxylic acid
CID 14103031
4-Hydroxy-1-(4-methoxybenzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 4352460
4-Fluorophenyl prolinyl ether
CID 163184926
5-((2-Ethoxyphenyl)sulfonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 71790522
4-[4-Phenoxy-1-(propane-1-sulfonyl)pyrrolidine-2-carbonyl]morpholine
CID 110196830
N-Methyl-4-phenoxy-1-(propane-1-sulfonyl)pyrrolidine-2-carboxamide
CID 110196885
morpholin-4-yl-[(2S,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone
CID 110198219
(2S,4S)-N-methyl-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide
CID 110198322
(2S,4S)-1-ethylsulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198323
5-[4-(Trifluoromethoxy)phenyl]sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 71790520
Methyl 4-(2-fluorophenoxy)-1-(3-(phenylsulfonyl)propanoyl)pyrrolidine-2-carboxylate
CID 76149028
Methyl 4-(2-fluorophenoxy)-1-(thiophen-2-ylsulfonyl)pyrrolidine-2-carboxylate
CID 76149063

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluorophenoxy)-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-(2-fluorophenoxy)-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate (CID 90620378) is methyl 4-(2-fluorophenoxy)-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-fluorophenoxy)-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-(2-fluorophenoxy)-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate is COC(=O)C1CC(Oc2ccccc2F)CN1S(=O)(=O)C(C)C.
What is the InChIKey of methyl 4-(2-fluorophenoxy)-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate?
The InChIKey is PGBBSDTZSAQKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO5S/c1-10(2)23(19,20)17-9-11(8-13(17)15(18)21-3)22-14-7-5-4-6-12(14)16/h4-7,10-11,13H,8-9H2,1-3H3.
What are the key properties of methyl 4-(2-fluorophenoxy)-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate?
methyl 4-(2-fluorophenoxy)-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate has a molecular weight of 345.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluorophenoxy)-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 90620378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).