2-amino-4-(4-bromophenyl)-2-methylbutanoic acid

C11H14BrNO2 — CID 56687127

IUPAC2-amino-4-(4-bromophenyl)-2-methylbutanoic acid
SMILESCC(N)(CCc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C11H14BrNO2/c1-11(13,10(14)15)7-6-8-2-4-9(12)5-3-8/h2-5H,6-7,13H2,1H3,(H,14,15)
InChIKeyGVQBWOMAPUUPCZ-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.18
Rot. Bonds4

About 2-amino-4-(4-bromophenyl)-2-methylbutanoic acid

2-amino-4-(4-bromophenyl)-2-methylbutanoic acid (PubChem CID 56687127) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-amino-4-(4-bromophenyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-(4-bromophenyl)-2-methylbutanoic acid
PubChem CID56687127
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-amino-4-(4-bromophenyl)-2-methylbutanoic acid
SMILESCC(N)(CCc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C11H14BrNO2/c1-11(13,10(14)15)7-6-8-2-4-9(12)5-3-8/h2-5H,6-7,13H2,1H3,(H,14,15)
InChIKeyGVQBWOMAPUUPCZ-UHFFFAOYSA-N
XLogP2.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 93380969
tris(4-(4-bromophenyl)-2,2-dimethylbutanoic acid);molecular iodine;tris(sulfur dioxide)
CID 161447417
[4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate
CID 151939532
2-amino-4-(3-iodophenyl)-2-methylbutanoic acid
CID 21295151
1-bromo-4-(3,3-difluorobutyl)benzene
CID 84706880
1-bromo-4-(3-fluoro-3-methylbutyl)benzene
CID 84704942
2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride
CID 75366211
4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine
CID 84729556
2-amino-2-[(4-bromophenyl)methyl]hexanoic acid
CID 175669821
3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155083
methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride
CID 56972079
2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide
CID 120591489

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromophenyl)-2-methylbutanoic acid?
The IUPAC name of 2-amino-4-(4-bromophenyl)-2-methylbutanoic acid (CID 56687127) is 2-amino-4-(4-bromophenyl)-2-methylbutanoic acid.
What is the SMILES notation for 2-amino-4-(4-bromophenyl)-2-methylbutanoic acid?
The canonical SMILES for 2-amino-4-(4-bromophenyl)-2-methylbutanoic acid is CC(N)(CCc1ccc(Br)cc1)C(=O)O.
What is the InChIKey of 2-amino-4-(4-bromophenyl)-2-methylbutanoic acid?
The InChIKey is GVQBWOMAPUUPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-11(13,10(14)15)7-6-8-2-4-9(12)5-3-8/h2-5H,6-7,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-4-(4-bromophenyl)-2-methylbutanoic acid?
2-amino-4-(4-bromophenyl)-2-methylbutanoic acid has a molecular weight of 272.14 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromophenyl)-2-methylbutanoic acid is sourced from PubChem (CID 56687127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).