1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

C18H18FNO3 — CID 57363347

IUPAC1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2C(C(=O)O)CCN2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO3/c1-23-15-8-2-12(3-9-15)17-16(18(21)22)10-11-20(17)14-6-4-13(19)5-7-14/h2-9,16-17H,10-11H2,1H3,(H,21,22)
InChIKeyULHOJIUISCBPJU-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.49
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 57363347) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID57363347
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2C(C(=O)O)CCN2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO3/c1-23-15-8-2-12(3-9-15)17-16(18(21)22)10-11-20(17)14-6-4-13(19)5-7-14/h2-9,16-17H,10-11H2,1H3,(H,21,22)
InChIKeyULHOJIUISCBPJU-UHFFFAOYSA-N
XLogP3.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid (CID 57363347) is 1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid is COc1ccc(C2C(C(=O)O)CCN2c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ULHOJIUISCBPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-23-15-8-2-12(3-9-15)17-16(18(21)22)10-11-20(17)14-6-4-13(19)5-7-14/h2-9,16-17H,10-11H2,1H3,(H,21,22).
What are the key properties of 1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 315.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 57363347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).