2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid

C10H12BrNO3 — CID 77129623

IUPAC2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
SMILESCc1c(Br)cc(C(N)C(=O)O)c(O)c1C
InChIInChI=1S/C10H12BrNO3/c1-4-5(2)9(13)6(3-7(4)11)8(12)10(14)15/h3,8,13H,12H2,1-2H3,(H,14,15)
InChIKeyFTZUYLLLGXQISV-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.86
Rot. Bonds2

About 2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid

2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid (PubChem CID 77129623) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
PubChem CID77129623
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
SMILESCc1c(Br)cc(C(N)C(=O)O)c(O)c1C
InChIInChI=1S/C10H12BrNO3/c1-4-5(2)9(13)6(3-7(4)11)8(12)10(14)15/h3,8,13H,12H2,1-2H3,(H,14,15)
InChIKeyFTZUYLLLGXQISV-UHFFFAOYSA-N
XLogP1.86
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)propanoic acid
CID 83903974
(2S)-2-amino-2-(5-bromo-2-hydroxy-4-methylphenyl)acetic acid
CID 66513485
2-amino-2-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)acetic acid
CID 117464654
2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid
CID 84710017
2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
CID 77129596
(2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
CID 130691393
2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid
CID 77128761
2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid
CID 117468156
2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
CID 83901744
(2S)-2-amino-2-(2-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 66512366
2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid
CID 84805752
2-amino-2-(3-bromo-6-hydroxy-2-methylphenyl)acetic acid
CID 84710002

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid (CID 77129623) is 2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid is Cc1c(Br)cc(C(N)C(=O)O)c(O)c1C.
What is the InChIKey of 2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid?
The InChIKey is FTZUYLLLGXQISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-4-5(2)9(13)6(3-7(4)11)8(12)10(14)15/h3,8,13H,12H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid?
2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid has a molecular weight of 274.11 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid is sourced from PubChem (CID 77129623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).