5-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid

C15H20FNO3 — CID 117451422

IUPAC5-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1cc(F)cc(C2CC(C(=O)O)CN2)c1C(C)C
InChIInChI=1S/C15H20FNO3/c1-8(2)14-11(5-10(16)6-13(14)20-3)12-4-9(7-17-12)15(18)19/h5-6,8-9,12,17H,4,7H2,1-3H3,(H,18,19)
InChIKeyGOSSORZHCAMYBQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.69
Rot. Bonds4

About 5-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid

5-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117451422) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 5-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID117451422
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name5-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1cc(F)cc(C2CC(C(=O)O)CN2)c1C(C)C
InChIInChI=1S/C15H20FNO3/c1-8(2)14-11(5-10(16)6-13(14)20-3)12-4-9(7-17-12)15(18)19/h5-6,8-9,12,17H,4,7H2,1-3H3,(H,18,19)
InChIKeyGOSSORZHCAMYBQ-UHFFFAOYSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117451340
5-(4-fluoro-5-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117390670
5-(2-hydroxy-4,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117421330
5-(3-chloro-5-fluoro-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117397530
5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117416973
5-(3-methoxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117412803
5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117498911
5-(3-bromo-2,5-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117491074
5-(2-bromo-5-methoxy-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117499266
5-(2,5-dichloro-3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117468457
5-[4-(dimethylamino)-2,5-dimethoxyphenyl]pyrrolidine-3-carboxylic acid
CID 117474882
5-(5-fluoro-3,4-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117455307

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid (CID 117451422) is 5-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid is COc1cc(F)cc(C2CC(C(=O)O)CN2)c1C(C)C.
What is the InChIKey of 5-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GOSSORZHCAMYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-8(2)14-11(5-10(16)6-13(14)20-3)12-4-9(7-17-12)15(18)19/h5-6,8-9,12,17H,4,7H2,1-3H3,(H,18,19).
What are the key properties of 5-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid?
5-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 281.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117451422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).