5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid

C15H20FNO4 — CID 104682391

IUPAC5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)C(C)Oc1ccccc1F)C(=O)O
InChIInChI=1S/C15H20FNO4/c1-10(15(19)20)6-5-9-17-14(18)11(2)21-13-8-4-3-7-12(13)16/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFAQJGNQLCFAWQE-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.21
Rot. Bonds8

About 5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid

5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid (PubChem CID 104682391) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
PubChem CID104682391
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)C(C)Oc1ccccc1F)C(=O)O
InChIInChI=1S/C15H20FNO4/c1-10(15(19)20)6-5-9-17-14(18)11(2)21-13-8-4-3-7-12(13)16/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFAQJGNQLCFAWQE-UHFFFAOYSA-N
XLogP2.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.21
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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Related Compounds

4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832248
2-(2-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318363
5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 104681666
(2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid
CID 107563253
4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003733
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830406
2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 103771605
5-[1-(2-fluorophenyl)ethylcarbamoylamino]-2-methylpentanoic acid
CID 104686419
(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide
CID 95973725
(2S)-2-[2-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 61144253
2-(2-fluorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78956697
4-[3-(2-fluorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 80538101

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid?
The IUPAC name of 5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid (CID 104682391) is 5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid?
The canonical SMILES for 5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid is CC(CCCNC(=O)C(C)Oc1ccccc1F)C(=O)O.
What is the InChIKey of 5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid?
The InChIKey is FAQJGNQLCFAWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-10(15(19)20)6-5-9-17-14(18)11(2)21-13-8-4-3-7-12(13)16/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid?
5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid is sourced from PubChem (CID 104682391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).