(2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid

C8H7BrFNO3 — CID 130691393

IUPAC(2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
SMILESN[C@@H](C(=O)O)c1cc(Br)cc(F)c1O
InChIInChI=1S/C8H7BrFNO3/c9-3-1-4(6(11)8(13)14)7(12)5(10)2-3/h1-2,6,12H,11H2,(H,13,14)/t6-/m1/s1
InChIKeyLAVJILNWPAXNEJ-ZCFIWIBFSA-N
MW264.05 g/mol
LogP1.38
Rot. Bonds2

About (2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid

(2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid (PubChem CID 130691393) has the molecular formula C8H7BrFNO3 and a molecular weight of 264.05 g/mol. Its IUPAC name is (2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
PubChem CID130691393
Molecular FormulaC8H7BrFNO3
Molecular Weight264.05 g/mol
Exact Mass262.96
IUPAC Name(2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
SMILESN[C@@H](C(=O)O)c1cc(Br)cc(F)c1O
InChIInChI=1S/C8H7BrFNO3/c9-3-1-4(6(11)8(13)14)7(12)5(10)2-3/h1-2,6,12H,11H2,(H,13,14)/t6-/m1/s1
InChIKeyLAVJILNWPAXNEJ-ZCFIWIBFSA-N
XLogP1.38
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.05
LogP ≤ 51.38
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-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
CID 77129596
2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid
CID 84807691
methyl (2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetate
CID 131264522
methyl (2S)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetate;hydrochloride
CID 171256718
2-[(1S)-1-aminoethyl]-4-bromo-6-fluorophenol
CID 130713722
2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol
CID 66515526
(2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid
CID 130647675
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171256747
2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol
CID 130715689
2-[(S)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171253387
(2S)-2-amino-2-(5-bromo-2,3-difluoro-6-hydroxyphenyl)acetic acid
CID 66513152
2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
CID 77129623

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid (CID 130691393) is (2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid is N[C@@H](C(=O)O)c1cc(Br)cc(F)c1O.
What is the InChIKey of (2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid?
The InChIKey is LAVJILNWPAXNEJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H7BrFNO3/c9-3-1-4(6(11)8(13)14)7(12)5(10)2-3/h1-2,6,12H,11H2,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid?
(2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid has a molecular weight of 264.05 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 130691393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).