5-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid

C16H24FNO3 — CID 64855257

IUPAC5-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCc1ccc(F)c(OCCCC(C)(NC(C)C)C(=O)O)c1
InChIInChI=1S/C16H24FNO3/c1-11(2)18-16(4,15(19)20)8-5-9-21-14-10-12(3)6-7-13(14)17/h6-7,10-11,18H,5,8-9H2,1-4H3,(H,19,20)
InChIKeyGUGGFYGWQYKRPM-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.13
Rot. Bonds8

About 5-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid

5-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 64855257) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 5-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID64855257
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name5-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCc1ccc(F)c(OCCCC(C)(NC(C)C)C(=O)O)c1
InChIInChI=1S/C16H24FNO3/c1-11(2)18-16(4,15(19)20)8-5-9-21-14-10-12(3)6-7-13(14)17/h6-7,10-11,18H,5,8-9H2,1-4H3,(H,19,20)
InChIKeyGUGGFYGWQYKRPM-UHFFFAOYSA-N
XLogP3.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 5-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid (CID 64855257) is 5-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid is Cc1ccc(F)c(OCCCC(C)(NC(C)C)C(=O)O)c1.
What is the InChIKey of 5-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is GUGGFYGWQYKRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-11(2)18-16(4,15(19)20)8-5-9-21-14-10-12(3)6-7-13(14)17/h6-7,10-11,18H,5,8-9H2,1-4H3,(H,19,20).
What are the key properties of 5-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
5-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 297.37 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 64855257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).