methyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate

C15H20FNO3 — CID 117238363

IUPACmethyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate
SMILESCOC(=O)C(COc1cccc(F)c1)C1CCN(C)C1
InChIInChI=1S/C15H20FNO3/c1-17-7-6-11(9-17)14(15(18)19-2)10-20-13-5-3-4-12(16)8-13/h3-5,8,11,14H,6-7,9-10H2,1-2H3
InChIKeyDPLSXTFRNFCORS-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.95
Rot. Bonds5

About methyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate

methyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate (PubChem CID 117238363) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate
PubChem CID117238363
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Namemethyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate
SMILESCOC(=O)C(COc1cccc(F)c1)C1CCN(C)C1
InChIInChI=1S/C15H20FNO3/c1-17-7-6-11(9-17)14(15(18)19-2)10-20-13-5-3-4-12(16)8-13/h3-5,8,11,14H,6-7,9-10H2,1-2H3
InChIKeyDPLSXTFRNFCORS-UHFFFAOYSA-N
XLogP1.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-hydroxyphenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238371
2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237378
methyl 3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoate
CID 117238376
methyl 3-(3-fluorophenoxy)-2-(tritylamino)propanoate
CID 118862708
methyl 4-(3-fluorophenoxy)-2-(methylamino)butanoate
CID 63040092
methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 118862695
dimethyl 2-(3-fluorophenoxy)propanedioate
CID 94688000
4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 52520848
methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate
CID 117245908
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate
CID 117243411
1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine
CID 119919442

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate?
The IUPAC name of methyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate (CID 117238363) is methyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate.
What is the SMILES notation for methyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate?
The canonical SMILES for methyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate is COC(=O)C(COc1cccc(F)c1)C1CCN(C)C1.
What is the InChIKey of methyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate?
The InChIKey is DPLSXTFRNFCORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-17-7-6-11(9-17)14(15(18)19-2)10-20-13-5-3-4-12(16)8-13/h3-5,8,11,14H,6-7,9-10H2,1-2H3.
What are the key properties of methyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate?
methyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate has a molecular weight of 281.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate is sourced from PubChem (CID 117238363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).