methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride

C9H10BrCl2NO2 — CID 162344269

IUPACmethyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1ccc(Br)cc1Cl.Cl
InChIInChI=1S/C9H9BrClNO2.ClH/c1-14-9(13)8(12)6-3-2-5(10)4-7(6)11;/h2-4,8H,12H2,1H3;1H/t8-;/m1./s1
InChIKeyMJPFLINZLYGCDF-DDWIOCJRSA-N
MW314.99 g/mol
LogP2.70
Rot. Bonds2

About methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride

methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride (PubChem CID 162344269) has the molecular formula C9H10BrCl2NO2 and a molecular weight of 314.99 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride
PubChem CID162344269
Molecular FormulaC9H10BrCl2NO2
Molecular Weight314.99 g/mol
Exact Mass312.93
IUPAC Namemethyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1ccc(Br)cc1Cl.Cl
InChIInChI=1S/C9H9BrClNO2.ClH/c1-14-9(13)8(12)6-3-2-5(10)4-7(6)11;/h2-4,8H,12H2,1H3;1H/t8-;/m1./s1
InChIKeyMJPFLINZLYGCDF-DDWIOCJRSA-N
XLogP2.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.99
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride
CID 171220169
methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate
CID 116856962
methyl (2S)-2-amino-2-(2-bromo-4-chlorophenyl)acetate
CID 130055209
methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
CID 162344729
methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate
CID 66156456
1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine
CID 112705508
methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate
CID 131463179
(1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 130839573
methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate
CID 40721204
2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride
CID 155888152
methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate
CID 130613043
methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride
CID 171217153

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride (CID 162344269) is methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride is COC(=O)[C@H](N)c1ccc(Br)cc1Cl.Cl.
What is the InChIKey of methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride?
The InChIKey is MJPFLINZLYGCDF-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9BrClNO2.ClH/c1-14-9(13)8(12)6-3-2-5(10)4-7(6)11;/h2-4,8H,12H2,1H3;1H/t8-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride?
methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride has a molecular weight of 314.99 g/mol, XLogP of 2.70, 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-(4-bromo-2-chlorophenyl)acetate;hydrochloride is sourced from PubChem (CID 162344269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).