ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate

C10H18FNO4S — CID 59267912

IUPACethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C10H18FNO4S/c1-4-16-9(13)10(2,3)17(14,15)12-6-5-8(11)7-12/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyWSTMLMUBYALTPM-MRVPVSSYSA-N
MW267.32 g/mol
LogP0.70
Rot. Bonds4

About ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate

ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate (PubChem CID 59267912) has the molecular formula C10H18FNO4S and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate
PubChem CID59267912
Molecular FormulaC10H18FNO4S
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Nameethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C10H18FNO4S/c1-4-16-9(13)10(2,3)17(14,15)12-6-5-8(11)7-12/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyWSTMLMUBYALTPM-MRVPVSSYSA-N
XLogP0.70
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate?
The IUPAC name of ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate (CID 59267912) is ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate?
The canonical SMILES for ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate is CCOC(=O)C(C)(C)S(=O)(=O)N1CC[C@@H](F)C1.
What is the InChIKey of ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate?
The InChIKey is WSTMLMUBYALTPM-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18FNO4S/c1-4-16-9(13)10(2,3)17(14,15)12-6-5-8(11)7-12/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate?
ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate has a molecular weight of 267.32 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate is sourced from PubChem (CID 59267912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).