2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid

C11H14BrNO4 — CID 117488957

IUPAC2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid
SMILESCOc1c(Br)cc(C)c(C(N)C(=O)O)c1OC
InChIInChI=1S/C11H14BrNO4/c1-5-4-6(12)9(16-2)10(17-3)7(5)8(13)11(14)15/h4,8H,13H2,1-3H3,(H,14,15)
InChIKeyBEKVUUUWGDIMIG-UHFFFAOYSA-N
MW304.14 g/mol
LogP1.86
Rot. Bonds4

About 2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid

2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid (PubChem CID 117488957) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid
PubChem CID117488957
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid
SMILESCOc1c(Br)cc(C)c(C(N)C(=O)O)c1OC
InChIInChI=1S/C11H14BrNO4/c1-5-4-6(12)9(16-2)10(17-3)7(5)8(13)11(14)15/h4,8H,13H2,1-3H3,(H,14,15)
InChIKeyBEKVUUUWGDIMIG-UHFFFAOYSA-N
XLogP1.86
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
CID 22309144
2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid
CID 117468156
3-amino-3-(4-bromo-2-hydroxy-3-methoxy-6-methylphenyl)propanoic acid
CID 117488985
2-amino-3-(3-bromo-4-methoxy-5-methylphenyl)propanoic acid
CID 117464888
methyl 2-(4-bromo-2-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetate
CID 117490298
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
CID 117441313
2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid
CID 84713752
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid
CID 117463086
(2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 14550068
2-amino-2-(3-bromo-4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 84713750
2-amino-2-(3-bromo-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117488962
2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid
CID 115004637

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid (CID 117488957) is 2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid is COc1c(Br)cc(C)c(C(N)C(=O)O)c1OC.
What is the InChIKey of 2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid?
The InChIKey is BEKVUUUWGDIMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-5-4-6(12)9(16-2)10(17-3)7(5)8(13)11(14)15/h4,8H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid?
2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid has a molecular weight of 304.14 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid is sourced from PubChem (CID 117488957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).