methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate

C11H14BrNO3 — CID 79842569

IUPACmethyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate
SMILESCOC(=O)C(C)Oc1c(C)cc(Br)cc1N
InChIInChI=1S/C11H14BrNO3/c1-6-4-8(12)5-9(13)10(6)16-7(2)11(14)15-3/h4-5,7H,13H2,1-3H3
InChIKeyYFYLZTJMBRXXHA-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.28
Rot. Bonds3

About methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate

methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate (PubChem CID 79842569) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate
PubChem CID79842569
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Namemethyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate
SMILESCOC(=O)C(C)Oc1c(C)cc(Br)cc1N
InChIInChI=1S/C11H14BrNO3/c1-6-4-8(12)5-9(13)10(6)16-7(2)11(14)15-3/h4-5,7H,13H2,1-3H3
InChIKeyYFYLZTJMBRXXHA-UHFFFAOYSA-N
XLogP2.28
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide
CID 79842993
5-bromo-2-(1-methoxy-1-oxopropan-2-yl)oxy-3-methylbenzoic acid
CID 112620920
2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 79842990
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290
methyl 2-(4-bromo-2,6-difluorophenoxy)propanoate
CID 175054822
methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate
CID 131748200
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
methyl (2S)-2-(4-cyano-2,6-dimethylphenoxy)propanoate
CID 103338073
methyl 2-(4-carbamothioyl-2,6-dimethylphenoxy)propanoate
CID 65472479
methyl 3-(2-amino-4-bromo-6-methylphenoxy)propanoate
CID 79844736
methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate
CID 154610153
N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate?
The IUPAC name of methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate (CID 79842569) is methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate.
What is the SMILES notation for methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate?
The canonical SMILES for methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate is COC(=O)C(C)Oc1c(C)cc(Br)cc1N.
What is the InChIKey of methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate?
The InChIKey is YFYLZTJMBRXXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-6-4-8(12)5-9(13)10(6)16-7(2)11(14)15-3/h4-5,7H,13H2,1-3H3.
What are the key properties of methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate?
methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate has a molecular weight of 288.14 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate is sourced from PubChem (CID 79842569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).