methyl 4-methoxy-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylate

C17H20F3NO4 — CID 86264532

IUPACmethyl 4-methoxy-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OC)CN1C(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3NO4/c1-24-13-9-14(16(23)25-2)21(10-13)15(22)8-5-11-3-6-12(7-4-11)17(18,19)20/h3-4,6-7,13-14H,5,8-10H2,1-2H3
InChIKeyMGFMXPVDKGVNNY-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.43
Rot. Bonds5

About methyl 4-methoxy-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylate

methyl 4-methoxy-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylate (PubChem CID 86264532) has the molecular formula C17H20F3NO4 and a molecular weight of 359.34 g/mol. Its IUPAC name is methyl 4-methoxy-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylate
PubChem CID86264532
Molecular FormulaC17H20F3NO4
Molecular Weight359.34 g/mol
Exact Mass359.13
IUPAC Namemethyl 4-methoxy-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OC)CN1C(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3NO4/c1-24-13-9-14(16(23)25-2)21(10-13)15(22)8-5-11-3-6-12(7-4-11)17(18,19)20/h3-4,6-7,13-14H,5,8-10H2,1-2H3
InChIKeyMGFMXPVDKGVNNY-UHFFFAOYSA-N
XLogP2.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-methoxy-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylate (CID 86264532) is methyl 4-methoxy-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylate is COC(=O)C1CC(OC)CN1C(=O)CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 4-methoxy-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylate?
The InChIKey is MGFMXPVDKGVNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO4/c1-24-13-9-14(16(23)25-2)21(10-13)15(22)8-5-11-3-6-12(7-4-11)17(18,19)20/h3-4,6-7,13-14H,5,8-10H2,1-2H3.
What are the key properties of methyl 4-methoxy-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylate?
methyl 4-methoxy-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylate has a molecular weight of 359.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 86264532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).