2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid

C15H20FNO3 — CID 119200755

IUPAC2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CC(=O)N(C)C(C)(C)C(=O)O)c1ccccc1F
InChIInChI=1S/C15H20FNO3/c1-10(11-7-5-6-8-12(11)16)9-13(18)17(4)15(2,3)14(19)20/h5-8,10H,9H2,1-4H3,(H,19,20)
InChIKeyBRKHDCBHYGXAEF-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.64
Rot. Bonds5

About 2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid

2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid (PubChem CID 119200755) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid
PubChem CID119200755
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CC(=O)N(C)C(C)(C)C(=O)O)c1ccccc1F
InChIInChI=1S/C15H20FNO3/c1-10(11-7-5-6-8-12(11)16)9-13(18)17(4)15(2,3)14(19)20/h5-8,10H,9H2,1-4H3,(H,19,20)
InChIKeyBRKHDCBHYGXAEF-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid
CID 62818448
N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide
CID 120885216
2-[3-(2-fluorophenyl)butanoylamino]-2-methylpentanoic acid
CID 119192367
2-[3-(2-fluorophenyl)butanoylamino]acetic acid
CID 119171648
2-[3-(2-fluorophenyl)butanoylamino]propanoic acid
CID 119225742
N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
CID 119499708
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid
CID 119114018
N-[cyano-(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 82118902
2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid
CID 79303258
3-[1-(2-fluorophenyl)ethylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644214
2-[1-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 114998260

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid (CID 119200755) is 2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid is CC(CC(=O)N(C)C(C)(C)C(=O)O)c1ccccc1F.
What is the InChIKey of 2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is BRKHDCBHYGXAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-10(11-7-5-6-8-12(11)16)9-13(18)17(4)15(2,3)14(19)20/h5-8,10H,9H2,1-4H3,(H,19,20).
What are the key properties of 2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid?
2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119200755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).