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

C10H12BrNO2 — CID 116856962

IUPACmethyl 2-amino-2-(5-bromo-2-methylphenyl)acetate
SMILESCOC(=O)C(N)c1cc(Br)ccc1C
InChIInChI=1S/C10H12BrNO2/c1-6-3-4-7(11)5-8(6)9(12)10(13)14-2/h3-5,9H,12H2,1-2H3
InChIKeyOGRDWAUTHJWVRP-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.93
Rot. Bonds2

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

methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate (PubChem CID 116856962) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(5-bromo-2-methylphenyl)acetate
PubChem CID116856962
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Namemethyl 2-amino-2-(5-bromo-2-methylphenyl)acetate
SMILESCOC(=O)C(N)c1cc(Br)ccc1C
InChIInChI=1S/C10H12BrNO2/c1-6-3-4-7(11)5-8(6)9(12)10(13)14-2/h3-5,9H,12H2,1-2H3
InChIKeyOGRDWAUTHJWVRP-UHFFFAOYSA-N
XLogP1.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.93
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-(5-bromo-2-methylphenyl)-2-(methylamino)acetate
CID 116857044
methyl 2-acetamido-2-(5-bromo-2-methylphenyl)acetate
CID 116860631
methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride
CID 162344269
2-amino-2-(5-bromo-2-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 116851346
(5-bromo-2-methylphenyl)-(methylideneamino)methanol;methyl 2-(5-bromo-2-methylphenyl)-2-hydroxyacetate
CID 159737409
4-amino-4-(5-bromo-2-methylphenyl)butan-2-one
CID 116940603
methyl 1-[amino-(5-bromo-2-methylphenyl)methyl]cyclobutane-1-carboxylate
CID 116944322
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate
CID 66156456
methyl (2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetate
CID 131264522
4-amino-4-(5-bromo-2-methylphenyl)-3,3-dimethylbutanoic acid
CID 116938329

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate?
The IUPAC name of methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate (CID 116856962) is methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate?
The canonical SMILES for methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate is COC(=O)C(N)c1cc(Br)ccc1C.
What is the InChIKey of methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate?
The InChIKey is OGRDWAUTHJWVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-6-3-4-7(11)5-8(6)9(12)10(13)14-2/h3-5,9H,12H2,1-2H3.
What are the key properties of methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate?
methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate has a molecular weight of 258.12 g/mol, XLogP of 1.93, 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-(5-bromo-2-methylphenyl)acetate is sourced from PubChem (CID 116856962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).