methyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate

C15H18FNO4 — CID 43423891

IUPACmethyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C(C)Oc1ccccc1F
InChIInChI=1S/C15H18FNO4/c1-10(21-13-8-4-3-6-11(13)16)14(18)17-9-5-7-12(17)15(19)20-2/h3-4,6,8,10,12H,5,7,9H2,1-2H3
InChIKeyDBLFVOVJODEQTB-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.76
Rot. Bonds4

About methyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate

methyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate (PubChem CID 43423891) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is methyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate
PubChem CID43423891
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Namemethyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C(C)Oc1ccccc1F
InChIInChI=1S/C15H18FNO4/c1-10(21-13-8-4-3-6-11(13)16)14(18)17-9-5-7-12(17)15(19)20-2/h3-4,6,8,10,12H,5,7,9H2,1-2H3
InChIKeyDBLFVOVJODEQTB-UHFFFAOYSA-N
XLogP1.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62468076
4-[2-(2-fluorophenoxy)propanoyl]thiomorpholine-3-carboxylic acid
CID 78979742
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356873
(2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712835
(2R,4R)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000234
1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134043271
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 61163138
methyl (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]pyrrolidine-2-carboxylate
CID 139928671
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807
methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
CID 79507346
N'-[2-(2-fluorophenoxy)propanoyl]cyclobutanecarbohydrazide
CID 18158775

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate (CID 43423891) is methyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)C(C)Oc1ccccc1F.
What is the InChIKey of methyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate?
The InChIKey is DBLFVOVJODEQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-10(21-13-8-4-3-6-11(13)16)14(18)17-9-5-7-12(17)15(19)20-2/h3-4,6,8,10,12H,5,7,9H2,1-2H3.
What are the key properties of methyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate has a molecular weight of 295.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 43423891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).