2-(2-bromoanilino)-2-methylbutanoic acid

C11H14BrNO2 — CID 60994535

IUPAC2-(2-bromoanilino)-2-methylbutanoic acid
SMILESCCC(C)(Nc1ccccc1Br)C(=O)O
InChIInChI=1S/C11H14BrNO2/c1-3-11(2,10(14)15)13-9-7-5-4-6-8(9)12/h4-7,13H,3H2,1-2H3,(H,14,15)
InChIKeyJSCCVCWULBJNMO-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.11
Rot. Bonds4

About 2-(2-bromoanilino)-2-methylbutanoic acid

2-(2-bromoanilino)-2-methylbutanoic acid (PubChem CID 60994535) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-methylbutanoic acid
PubChem CID60994535
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-(2-bromoanilino)-2-methylbutanoic acid
SMILESCCC(C)(Nc1ccccc1Br)C(=O)O
InChIInChI=1S/C11H14BrNO2/c1-3-11(2,10(14)15)13-9-7-5-4-6-8(9)12/h4-7,13H,3H2,1-2H3,(H,14,15)
InChIKeyJSCCVCWULBJNMO-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoanilino)-2-methylbutanamide
CID 61006238
2-methyl-2-(2-methylsulfonylanilino)butanoic acid
CID 79798877
2-[(2-bromophenyl)methylamino]-2-methylbutanoic acid
CID 78971162
2-(2-bromoanilino)-2-ethylbutan-1-ol
CID 61050046
2-(4-bromoanilino)-2-methylbutanoic acid
CID 60994678
2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid
CID 79790485
2-(2-ethylanilino)-2-methylpentanoic acid
CID 114992150
2-(2,6-dimethylanilino)-2-methylbutanoic acid
CID 70558960
2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide
CID 116535475
ethyl 2-(2-bromoanilino)-2-methylhex-5-enoate
CID 104656019
2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831900
2-[2-(2-bromophenoxy)propanoylamino]-2-methylbutanoic acid
CID 119199829

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-methylbutanoic acid?
The IUPAC name of 2-(2-bromoanilino)-2-methylbutanoic acid (CID 60994535) is 2-(2-bromoanilino)-2-methylbutanoic acid.
What is the SMILES notation for 2-(2-bromoanilino)-2-methylbutanoic acid?
The canonical SMILES for 2-(2-bromoanilino)-2-methylbutanoic acid is CCC(C)(Nc1ccccc1Br)C(=O)O.
What is the InChIKey of 2-(2-bromoanilino)-2-methylbutanoic acid?
The InChIKey is JSCCVCWULBJNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-11(2,10(14)15)13-9-7-5-4-6-8(9)12/h4-7,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-bromoanilino)-2-methylbutanoic acid?
2-(2-bromoanilino)-2-methylbutanoic acid has a molecular weight of 272.14 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-methylbutanoic acid is sourced from PubChem (CID 60994535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).