methyl (2R,4R)-4-(2-fluorophenoxy)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate

C19H18FNO5 — CID 99874961

IUPACmethyl (2R,4R)-4-(2-fluorophenoxy)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)/C=C/c1ccco1
InChIInChI=1S/C19H18FNO5/c1-24-19(23)16-11-14(26-17-7-3-2-6-15(17)20)12-21(16)18(22)9-8-13-5-4-10-25-13/h2-10,14,16H,11-12H2,1H3/b9-8+/t14-,16-/m1/s1
InChIKeyVJTJGHQBYYBJJW-MOIGAOQCSA-N
MW359.35 g/mol
LogP2.65
Rot. Bonds5

About methyl (2R,4R)-4-(2-fluorophenoxy)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate

methyl (2R,4R)-4-(2-fluorophenoxy)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate (PubChem CID 99874961) has the molecular formula C19H18FNO5 and a molecular weight of 359.35 g/mol. Its IUPAC name is methyl (2R,4R)-4-(2-fluorophenoxy)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-4-(2-fluorophenoxy)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate
PubChem CID99874961
Molecular FormulaC19H18FNO5
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Namemethyl (2R,4R)-4-(2-fluorophenoxy)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)/C=C/c1ccco1
InChIInChI=1S/C19H18FNO5/c1-24-19(23)16-11-14(26-17-7-3-2-6-15(17)20)12-21(16)18(22)9-8-13-5-4-10-25-13/h2-10,14,16H,11-12H2,1H3/b9-8+/t14-,16-/m1/s1
InChIKeyVJTJGHQBYYBJJW-MOIGAOQCSA-N
XLogP2.65
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2S,4S)-4-(2-fluorophenoxy)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylate
CID 99874962
1-O-tert-butyl 2-O-methyl (2S)-4-(2-fluorophenoxy)pyrrolidine-1,2-dicarboxylate
CID 163557195
methyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 90620074
methyl 4-(2-fluorophenoxy)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate
CID 90620343
methyl 1-(4-bromobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 90620295
methyl (2S,4S)-4-(2-fluorophenoxy)-1-(4-oxo-4-phenylbutanoyl)pyrrolidine-2-carboxylate
CID 99875089
methyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate
CID 90620312
methyl 1-(3-chlorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 90620290
methyl (2R,4S)-4-(2-fluorophenoxy)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylate
CID 99875004
methyl (2S,4S)-1-(2-cyclopentylsulfanylacetyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 99875107
methyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 90620088
methyl 1-(2,4-dimethoxybenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 90620311

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-(2-fluorophenoxy)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,4R)-4-(2-fluorophenoxy)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate (CID 99874961) is methyl (2R,4R)-4-(2-fluorophenoxy)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,4R)-4-(2-fluorophenoxy)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,4R)-4-(2-fluorophenoxy)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate is COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)/C=C/c1ccco1.
What is the InChIKey of methyl (2R,4R)-4-(2-fluorophenoxy)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate?
The InChIKey is VJTJGHQBYYBJJW-MOIGAOQCSA-N. The full InChI is InChI=1S/C19H18FNO5/c1-24-19(23)16-11-14(26-17-7-3-2-6-15(17)20)12-21(16)18(22)9-8-13-5-4-10-25-13/h2-10,14,16H,11-12H2,1H3/b9-8+/t14-,16-/m1/s1.
What are the key properties of methyl (2R,4R)-4-(2-fluorophenoxy)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate?
methyl (2R,4R)-4-(2-fluorophenoxy)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate has a molecular weight of 359.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-4-(2-fluorophenoxy)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 99874961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).