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

C15H20FNO4 — CID 43618706

IUPAC2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)CCOc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H20FNO4/c1-3-9-15(2,14(19)20)17-13(18)8-10-21-12-6-4-11(16)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJONXHXHSGCRQOO-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.35
Rot. Bonds8

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

2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid (PubChem CID 43618706) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
PubChem CID43618706
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)CCOc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H20FNO4/c1-3-9-15(2,14(19)20)17-13(18)8-10-21-12-6-4-11(16)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJONXHXHSGCRQOO-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119522331
3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81367166
N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
2-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104107
2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid
CID 119192267
2-[3-(4-fluorophenoxy)propylamino]-2-methylbutanoic acid
CID 79801718
2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
CID 43619154
2-methyl-2-(3-propan-2-yloxypropanoylamino)pentanoic acid
CID 119191930
3-(4-fluorophenoxy)-N-(4-propylphenyl)propanamide
CID 112816800
2-[4-(4-bromophenoxy)butanoylamino]-2-methylbutanoic acid
CID 79789268
2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61182733
4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 103890959

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid (CID 43618706) is 2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid is CCCC(C)(NC(=O)CCOc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid?
The InChIKey is JONXHXHSGCRQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-3-9-15(2,14(19)20)17-13(18)8-10-21-12-6-4-11(16)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid?
2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid is sourced from PubChem (CID 43618706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).