2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid

C12H14BrNO4 — CID 79793336

IUPAC2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc(Br)cc1O)C(=O)O
InChIInChI=1S/C12H14BrNO4/c1-3-12(2,11(17)18)14-10(16)8-5-4-7(13)6-9(8)15/h4-6,15H,3H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyOUWVDLFBQPQHIQ-UHFFFAOYSA-N
MW316.15 g/mol
LogP2.14
Rot. Bonds4

About 2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid

2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid (PubChem CID 79793336) has the molecular formula C12H14BrNO4 and a molecular weight of 316.15 g/mol. Its IUPAC name is 2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
PubChem CID79793336
Molecular FormulaC12H14BrNO4
Molecular Weight316.15 g/mol
Exact Mass315.01
IUPAC Name2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc(Br)cc1O)C(=O)O
InChIInChI=1S/C12H14BrNO4/c1-3-12(2,11(17)18)14-10(16)8-5-4-7(13)6-9(8)15/h4-6,15H,3H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyOUWVDLFBQPQHIQ-UHFFFAOYSA-N
XLogP2.14
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 79793235
4-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxybenzamide
CID 114010991
5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 113235186
2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79793464
2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 43618664
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide
CID 105059796
2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid
CID 174546235
2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-2-methylbutanoic acid
CID 119198892
4-bromo-N-butan-2-yl-2-hydroxybenzamide
CID 47435868
4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110103
2-[(3-bromo-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 79792649
5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide
CID 107730428

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid (CID 79793336) is 2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1ccc(Br)cc1O)C(=O)O.
What is the InChIKey of 2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The InChIKey is OUWVDLFBQPQHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO4/c1-3-12(2,11(17)18)14-10(16)8-5-4-7(13)6-9(8)15/h4-6,15H,3H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid?
2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid has a molecular weight of 316.15 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79793336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).