methyl 5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylate

C17H20FNO4 — CID 86806070

IUPACmethyl 5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylate
SMILESCOC(=O)C1CCC(C(=O)N2CCCC2c2cccc(F)c2)O1
InChIInChI=1S/C17H20FNO4/c1-22-17(21)15-8-7-14(23-15)16(20)19-9-3-6-13(19)11-4-2-5-12(18)10-11/h2,4-5,10,13-15H,3,6-9H2,1H3
InChIKeyMDGYNSOORDZAFW-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.21
Rot. Bonds3

About methyl 5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylate

methyl 5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylate (PubChem CID 86806070) has the molecular formula C17H20FNO4 and a molecular weight of 321.35 g/mol. Its IUPAC name is methyl 5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylate
PubChem CID86806070
Molecular FormulaC17H20FNO4
Molecular Weight321.35 g/mol
Exact Mass321.14
IUPAC Namemethyl 5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylate
SMILESCOC(=O)C1CCC(C(=O)N2CCCC2c2cccc(F)c2)O1
InChIInChI=1S/C17H20FNO4/c1-22-17(21)15-8-7-14(23-15)16(20)19-9-3-6-13(19)11-4-2-5-12(18)10-11/h2,4-5,10,13-15H,3,6-9H2,1H3
InChIKeyMDGYNSOORDZAFW-UHFFFAOYSA-N
XLogP2.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylate?
The IUPAC name of methyl 5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylate (CID 86806070) is methyl 5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylate.
What is the SMILES notation for methyl 5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylate?
The canonical SMILES for methyl 5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylate is COC(=O)C1CCC(C(=O)N2CCCC2c2cccc(F)c2)O1.
What is the InChIKey of methyl 5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylate?
The InChIKey is MDGYNSOORDZAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4/c1-22-17(21)15-8-7-14(23-15)16(20)19-9-3-6-13(19)11-4-2-5-12(18)10-11/h2,4-5,10,13-15H,3,6-9H2,1H3.
What are the key properties of methyl 5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylate?
methyl 5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylate has a molecular weight of 321.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylate is sourced from PubChem (CID 86806070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).