2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid

C10H12BrNO4 — CID 117468156

IUPAC2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid
SMILESCOc1c(O)cc(Br)c(C)c1C(N)C(=O)O
InChIInChI=1S/C10H12BrNO4/c1-4-5(11)3-6(13)9(16-2)7(4)8(12)10(14)15/h3,8,13H,12H2,1-2H3,(H,14,15)
InChIKeyGHZXULKQUCTRBG-UHFFFAOYSA-N
MW290.11 g/mol
LogP1.56
Rot. Bonds3

About 2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid

2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid (PubChem CID 117468156) has the molecular formula C10H12BrNO4 and a molecular weight of 290.11 g/mol. Its IUPAC name is 2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid
PubChem CID117468156
Molecular FormulaC10H12BrNO4
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Name2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid
SMILESCOc1c(O)cc(Br)c(C)c1C(N)C(=O)O
InChIInChI=1S/C10H12BrNO4/c1-4-5(11)3-6(13)9(16-2)7(4)8(12)10(14)15/h3,8,13H,12H2,1-2H3,(H,14,15)
InChIKeyGHZXULKQUCTRBG-UHFFFAOYSA-N
XLogP1.56
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)propanoic acid
CID 117488976
3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol
CID 117403931
2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid
CID 117488957
2-amino-2-(3-bromo-6-hydroxy-2-methylphenyl)acetic acid
CID 84710002
2-amino-2-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)acetic acid
CID 117377798
5-bromo-2,3-dimethoxy-4-methylphenol
CID 84705997
2-amino-2-(3-bromo-4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 84713750
2-amino-2-(3-bromo-6-hydroxy-2,4-dimethylphenyl)acetic acid
CID 84810252
2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
CID 22309144
2-amino-2-(3-bromo-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117488962
2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117475580
2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
CID 77129623

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid (CID 117468156) is 2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid is COc1c(O)cc(Br)c(C)c1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid?
The InChIKey is GHZXULKQUCTRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4/c1-4-5(11)3-6(13)9(16-2)7(4)8(12)10(14)15/h3,8,13H,12H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid?
2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid has a molecular weight of 290.11 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid is sourced from PubChem (CID 117468156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).