1-[[4-(4-fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid

C18H18FNO3 — CID 140678375

IUPAC1-[[4-(4-fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1OCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO3/c19-16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-23-20-11-1-2-17(20)18(21)22/h3-10,17H,1-2,11-12H2,(H,21,22)
InChIKeyNDWPZVZMNFLNGS-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.47
Rot. Bonds5

About 1-[[4-(4-fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid

1-[[4-(4-fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid (PubChem CID 140678375) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-[[4-(4-fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(4-fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid
PubChem CID140678375
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name1-[[4-(4-fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1OCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO3/c19-16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-23-20-11-1-2-17(20)18(21)22/h3-10,17H,1-2,11-12H2,(H,21,22)
InChIKeyNDWPZVZMNFLNGS-UHFFFAOYSA-N
XLogP3.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[4-(4-fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid (CID 140678375) is 1-[[4-(4-fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[4-(4-fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[4-(4-fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1OCc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[[4-(4-fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid?
The InChIKey is NDWPZVZMNFLNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c19-16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-23-20-11-1-2-17(20)18(21)22/h3-10,17H,1-2,11-12H2,(H,21,22).
What are the key properties of 1-[[4-(4-fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid?
1-[[4-(4-fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid has a molecular weight of 315.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-fluorophenyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 140678375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).