methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride

C9H10BrClFNO2 — CID 171220169

IUPACmethyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1cc(Br)ccc1F.Cl
InChIInChI=1S/C9H9BrFNO2.ClH/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11;/h2-4,8H,12H2,1H3;1H/t8-;/m1./s1
InChIKeyJUSYBCAYUCPUBM-DDWIOCJRSA-N
MW298.54 g/mol
LogP2.18
Rot. Bonds2

About methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride

methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride (PubChem CID 171220169) has the molecular formula C9H10BrClFNO2 and a molecular weight of 298.54 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride
PubChem CID171220169
Molecular FormulaC9H10BrClFNO2
Molecular Weight298.54 g/mol
Exact Mass296.96
IUPAC Namemethyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1cc(Br)ccc1F.Cl
InChIInChI=1S/C9H9BrFNO2.ClH/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11;/h2-4,8H,12H2,1H3;1H/t8-;/m1./s1
InChIKeyJUSYBCAYUCPUBM-DDWIOCJRSA-N
XLogP2.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434
methyl 2-bromo-2-(5-bromo-2-fluorophenyl)acetate
CID 172613347
methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 62213936
methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate
CID 51888842
methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate
CID 116856962
methyl (2S)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetate;hydrochloride
CID 171256718
methyl (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanoate
CID 171246499
methyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanoate
CID 171239785
methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride
CID 162344269
methyl (2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetate
CID 131264522
methyl 2-[(5-bromo-2-fluorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 55071559
methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride
CID 171226301

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride (CID 171220169) is methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride is COC(=O)[C@H](N)c1cc(Br)ccc1F.Cl.
What is the InChIKey of methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride?
The InChIKey is JUSYBCAYUCPUBM-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9BrFNO2.ClH/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11;/h2-4,8H,12H2,1H3;1H/t8-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride?
methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride has a molecular weight of 298.54 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride is sourced from PubChem (CID 171220169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).