5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid

C15H20FNO4 — CID 82009038

IUPAC5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)CCOc1ccccc1F
InChIInChI=1S/C15H20FNO4/c1-11(6-7-15(19)20)10-17-14(18)8-9-21-13-5-3-2-4-12(13)16/h2-5,11H,6-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyJVTBQTULZFGRDS-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.21
Rot. Bonds9

About 5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid

5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid (PubChem CID 82009038) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
PubChem CID82009038
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)CCOc1ccccc1F
InChIInChI=1S/C15H20FNO4/c1-11(6-7-15(19)20)10-17-14(18)8-9-21-13-5-3-2-4-12(13)16/h2-5,11H,6-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyJVTBQTULZFGRDS-UHFFFAOYSA-N
XLogP2.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

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Related Compounds

3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide
CID 120831531
(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833559
4-[3-(2-fluorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 80538101
N-[(2R)-2-(ethylamino)propyl]-3-(2-fluorophenoxy)propanamide
CID 120650525
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid
CID 54990985
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 82010234
3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81370073
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109845
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid (CID 82009038) is 5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)CCOc1ccccc1F.
What is the InChIKey of 5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid?
The InChIKey is JVTBQTULZFGRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-11(6-7-15(19)20)10-17-14(18)8-9-21-13-5-3-2-4-12(13)16/h2-5,11H,6-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid?
5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 82009038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).