methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate

C9H9BrClNO2 — CID 66156456

IUPACmethyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate
SMILESCOC(=O)C(N)c1cc(Cl)ccc1Br
InChIInChI=1S/C9H9BrClNO2/c1-14-9(13)8(12)6-4-5(11)2-3-7(6)10/h2-4,8H,12H2,1H3
InChIKeyLHWQAZIFRLAMMQ-UHFFFAOYSA-N
MW278.53 g/mol
LogP2.28
Rot. Bonds2

About methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate

methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate (PubChem CID 66156456) has the molecular formula C9H9BrClNO2 and a molecular weight of 278.53 g/mol. Its IUPAC name is methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate
PubChem CID66156456
Molecular FormulaC9H9BrClNO2
Molecular Weight278.53 g/mol
Exact Mass276.95
IUPAC Namemethyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate
SMILESCOC(=O)C(N)c1cc(Cl)ccc1Br
InChIInChI=1S/C9H9BrClNO2/c1-14-9(13)8(12)6-4-5(11)2-3-7(6)10/h2-4,8H,12H2,1H3
InChIKeyLHWQAZIFRLAMMQ-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-bromo-4-chlorophenyl)acetate
CID 130055209
methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
CID 162344729
methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate
CID 130061350
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride
CID 171217153
methyl (2R)-2-amino-2-(5-chloro-2-nitrophenyl)acetate
CID 171225993
methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride
CID 162344269
methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate
CID 66157058
methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride
CID 171220169
methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclohexylamino)acetate
CID 66157260
methyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylanilino)acetate
CID 66157255
methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate
CID 116856962

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate?
The IUPAC name of methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate (CID 66156456) is methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate?
The canonical SMILES for methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate is COC(=O)C(N)c1cc(Cl)ccc1Br.
What is the InChIKey of methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate?
The InChIKey is LHWQAZIFRLAMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO2/c1-14-9(13)8(12)6-4-5(11)2-3-7(6)10/h2-4,8H,12H2,1H3.
What are the key properties of methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate?
methyl 2-amino-2-(2-bromo-5-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-5-chlorophenyl)acetate is sourced from PubChem (CID 66156456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).