2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid

C9H10BrNO3 — CID 130041661

IUPAC2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid
SMILESCC(N)(C(=O)O)c1c(O)cccc1Br
InChIInChI=1S/C9H10BrNO3/c1-9(11,8(13)14)7-5(10)3-2-4-6(7)12/h2-4,12H,11H2,1H3,(H,13,14)
InChIKeyLHULEDBUJQZUPE-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.41
Rot. Bonds2

About 2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid

2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid (PubChem CID 130041661) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid
PubChem CID130041661
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid
SMILESCC(N)(C(=O)O)c1c(O)cccc1Br
InChIInChI=1S/C9H10BrNO3/c1-9(11,8(13)14)7-5(10)3-2-4-6(7)12/h2-4,12H,11H2,1H3,(H,13,14)
InChIKeyLHULEDBUJQZUPE-UHFFFAOYSA-N
XLogP1.41
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.41
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid (CID 130041661) is 2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid is CC(N)(C(=O)O)c1c(O)cccc1Br.
What is the InChIKey of 2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid?
The InChIKey is LHULEDBUJQZUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-9(11,8(13)14)7-5(10)3-2-4-6(7)12/h2-4,12H,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid?
2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid has a molecular weight of 260.09 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 130041661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).