4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid

C11H13BrFNO2 — CID 82972862

IUPAC4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid
SMILESCC(CN)(CC(=O)O)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-11(6-14,5-10(15)16)8-3-2-7(12)4-9(8)13/h2-4H,5-6,14H2,1H3,(H,15,16)
InChIKeyUYYTWJLCYDTZJP-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.28
Rot. Bonds4

About 4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid

4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid (PubChem CID 82972862) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid
PubChem CID82972862
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid
SMILESCC(CN)(CC(=O)O)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-11(6-14,5-10(15)16)8-3-2-7(12)4-9(8)13/h2-4H,5-6,14H2,1H3,(H,15,16)
InChIKeyUYYTWJLCYDTZJP-UHFFFAOYSA-N
XLogP2.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid
CID 82972821
ethyl 2-(4-bromo-2-fluorophenyl)-2-methylbutanoate
CID 117047713
methyl 4-amino-3-(4-bromo-2-fluorophenyl)-3,4-dimethylpentanoate
CID 82973423
4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride
CID 146308272
3-(4-bromo-2-ethylphenyl)-3-methylbutanoic acid
CID 117459003
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 117042482
methyl 3-(4-bromo-2-fluorophenyl)-2-ethyl-3-hydroxybutanoate
CID 82972914
2-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-amine
CID 117048225
N-(1-amino-2-methylpropan-2-yl)-4-bromo-2-fluorobenzamide
CID 63193839
2-(4-bromo-2-fluorophenyl)-2-(propan-2-ylamino)propanoic acid
CID 82966689
N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide
CID 166431442
2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)-2-ethylbutan-1-one
CID 116603875

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid?
The IUPAC name of 4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid (CID 82972862) is 4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid.
What is the SMILES notation for 4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid?
The canonical SMILES for 4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid is CC(CN)(CC(=O)O)c1ccc(Br)cc1F.
What is the InChIKey of 4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid?
The InChIKey is UYYTWJLCYDTZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-11(6-14,5-10(15)16)8-3-2-7(12)4-9(8)13/h2-4H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid?
4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid has a molecular weight of 290.13 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid is sourced from PubChem (CID 82972862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).