4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid

C16H24FNO3 — CID 64854486

IUPAC4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCc1ccc(F)c(OC(C)CC(C)(NC(C)C)C(=O)O)c1
InChIInChI=1S/C16H24FNO3/c1-10(2)18-16(5,15(19)20)9-12(4)21-14-8-11(3)6-7-13(14)17/h6-8,10,12,18H,9H2,1-5H3,(H,19,20)
InChIKeyANLKXHNJXYEFLN-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.13
Rot. Bonds7

About 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid

4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 64854486) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID64854486
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCc1ccc(F)c(OC(C)CC(C)(NC(C)C)C(=O)O)c1
InChIInChI=1S/C16H24FNO3/c1-10(2)18-16(5,15(19)20)9-12(4)21-14-8-11(3)6-7-13(14)17/h6-8,10,12,18H,9H2,1-5H3,(H,19,20)
InChIKeyANLKXHNJXYEFLN-UHFFFAOYSA-N
XLogP3.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid (CID 64854486) is 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid is Cc1ccc(F)c(OC(C)CC(C)(NC(C)C)C(=O)O)c1.
What is the InChIKey of 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is ANLKXHNJXYEFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-10(2)18-16(5,15(19)20)9-12(4)21-14-8-11(3)6-7-13(14)17/h6-8,10,12,18H,9H2,1-5H3,(H,19,20).
What are the key properties of 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
4-(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, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 64854486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).