4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)pentanoic acid

C16H24FNO3 — CID 64854880

IUPAC4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)Oc1cc(C)ccc1F)C(=O)O
InChIInChI=1S/C16H24FNO3/c1-5-8-18-16(4,15(19)20)10-12(3)21-14-9-11(2)6-7-13(14)17/h6-7,9,12,18H,5,8,10H2,1-4H3,(H,19,20)
InChIKeyTVCOLLMTRLMSDP-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.13
Rot. Bonds8

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

4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 64854880) 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-(propylamino)pentanoic acid.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)pentanoic acid
PubChem CID64854880
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)Oc1cc(C)ccc1F)C(=O)O
InChIInChI=1S/C16H24FNO3/c1-5-8-18-16(4,15(19)20)10-12(3)21-14-9-11(2)6-7-13(14)17/h6-7,9,12,18H,5,8,10H2,1-4H3,(H,19,20)
InChIKeyTVCOLLMTRLMSDP-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)pentanoic acid (CID 64854880) is 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CC(C)Oc1cc(C)ccc1F)C(=O)O.
What is the InChIKey of 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is TVCOLLMTRLMSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-5-8-18-16(4,15(19)20)10-12(3)21-14-9-11(2)6-7-13(14)17/h6-7,9,12,18H,5,8,10H2,1-4H3,(H,19,20).
What are the key properties of 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)pentanoic acid?
4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)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 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 64854880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).