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

C9H10BrNO3 — CID 84710017

IUPAC2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid
SMILESCc1cc(C(N)C(=O)O)cc(Br)c1O
InChIInChI=1S/C9H10BrNO3/c1-4-2-5(7(11)9(13)14)3-6(10)8(4)12/h2-3,7,12H,11H2,1H3,(H,13,14)
InChIKeyXWZJJLLGCOXARP-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.55
Rot. Bonds2

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

2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid (PubChem CID 84710017) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid
PubChem CID84710017
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid
SMILESCc1cc(C(N)C(=O)O)cc(Br)c1O
InChIInChI=1S/C9H10BrNO3/c1-4-2-5(7(11)9(13)14)3-6(10)8(4)12/h2-3,7,12H,11H2,1H3,(H,13,14)
InChIKeyXWZJJLLGCOXARP-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-bromo-3-hydroxy-5-methylphenyl)acetic acid
CID 84806320
(2S)-2-amino-2-(4-bromo-3-methylphenyl)acetic acid
CID 95731754
2-amino-2-(4-amino-3,5-dimethylphenyl)acetic acid
CID 55297559
2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid
CID 84712529
(2S)-2-amino-2-(3-bromo-5-methylphenyl)acetic acid
CID 130864981
(2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid
CID 130654274
methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate
CID 60796972
(2S)-2-amino-2-(5-bromo-2-hydroxy-4-methylphenyl)acetic acid
CID 66513485
2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
CID 77129623
(2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid
CID 130647675
(2S)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 66513064
2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid
CID 84780586

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid (CID 84710017) is 2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid is Cc1cc(C(N)C(=O)O)cc(Br)c1O.
What is the InChIKey of 2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid?
The InChIKey is XWZJJLLGCOXARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-4-2-5(7(11)9(13)14)3-6(10)8(4)12/h2-3,7,12H,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid?
2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid has a molecular weight of 260.09 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid is sourced from PubChem (CID 84710017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).