methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate

C9H9BrClNO2 — CID 131421509

IUPACmethyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate
SMILESCOC(=O)C(N)c1c(Cl)cccc1Br
InChIInChI=1S/C9H9BrClNO2/c1-14-9(13)8(12)7-5(10)3-2-4-6(7)11/h2-4,8H,12H2,1H3
InChIKeyHUWWUHKWMKTZAV-UHFFFAOYSA-N
MW278.53 g/mol
LogP2.28
Rot. Bonds2

About methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate

methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate (PubChem CID 131421509) has the molecular formula C9H9BrClNO2 and a molecular weight of 278.53 g/mol. Its IUPAC name is methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate
PubChem CID131421509
Molecular FormulaC9H9BrClNO2
Molecular Weight278.53 g/mol
Exact Mass276.95
IUPAC Namemethyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate
SMILESCOC(=O)C(N)c1c(Cl)cccc1Br
InChIInChI=1S/C9H9BrClNO2/c1-14-9(13)8(12)7-5(10)3-2-4-6(7)11/h2-4,8H,12H2,1H3
InChIKeyHUWWUHKWMKTZAV-UHFFFAOYSA-N
XLogP2.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.53
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130673957
methyl 2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130059706
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride
CID 171210746
methyl (2S)-2-amino-2-(3,6-dichloro-2-fluorophenyl)acetate
CID 131503024
(1R)-1-(2-bromo-6-chlorophenyl)ethanamine
CID 130968340
methyl 2-amino-2-(3-bromo-2-hydroxyphenyl)acetate
CID 130059952
methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60994408
methyl (2S)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209172
methyl (2S)-2-amino-2-(6-chloro-3-fluoro-2-hydroxyphenyl)acetate
CID 131423206
tert-butyl N-[(1S)-1-(2-bromo-6-chlorophenyl)ethyl]carbamate
CID 162342857
tert-butyl N-[1-(2-bromo-6-chlorophenyl)ethyl]carbamate
CID 155887557
methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride
CID 171204681

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate?
The IUPAC name of methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate (CID 131421509) is methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate?
The canonical SMILES for methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate is COC(=O)C(N)c1c(Cl)cccc1Br.
What is the InChIKey of methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate?
The InChIKey is HUWWUHKWMKTZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO2/c1-14-9(13)8(12)7-5(10)3-2-4-6(7)11/h2-4,8H,12H2,1H3.
What are the key properties of methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate?
methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate has a molecular weight of 278.53 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate is sourced from PubChem (CID 131421509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).