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

C10H12BrNO2 — CID 84805752

IUPAC2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid
SMILESCc1ccc(C(N)C(=O)O)c(C)c1Br
InChIInChI=1S/C10H12BrNO2/c1-5-3-4-7(6(2)8(5)11)9(12)10(13)14/h3-4,9H,12H2,1-2H3,(H,13,14)
InChIKeyRUKLDHVYMGDTBE-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.15
Rot. Bonds2

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

2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid (PubChem CID 84805752) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid
PubChem CID84805752
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid
SMILESCc1ccc(C(N)C(=O)O)c(C)c1Br
InChIInChI=1S/C10H12BrNO2/c1-5-3-4-7(6(2)8(5)11)9(12)10(13)14/h3-4,9H,12H2,1-2H3,(H,13,14)
InChIKeyRUKLDHVYMGDTBE-UHFFFAOYSA-N
XLogP2.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid (CID 84805752) is 2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid is Cc1ccc(C(N)C(=O)O)c(C)c1Br.
What is the InChIKey of 2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid?
The InChIKey is RUKLDHVYMGDTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-5-3-4-7(6(2)8(5)11)9(12)10(13)14/h3-4,9H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid?
2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid has a molecular weight of 258.11 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid is sourced from PubChem (CID 84805752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).