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

C10H12BrNO3 — CID 84713752

IUPAC2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid
SMILESCOc1ccc(C)c(C(N)C(=O)O)c1Br
InChIInChI=1S/C10H12BrNO3/c1-5-3-4-6(15-2)8(11)7(5)9(12)10(13)14/h3-4,9H,12H2,1-2H3,(H,13,14)
InChIKeyIHGLUUTVNJVFJS-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.85
Rot. Bonds3

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

2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid (PubChem CID 84713752) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid
PubChem CID84713752
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid
SMILESCOc1ccc(C)c(C(N)C(=O)O)c1Br
InChIInChI=1S/C10H12BrNO3/c1-5-3-4-6(15-2)8(11)7(5)9(12)10(13)14/h3-4,9H,12H2,1-2H3,(H,13,14)
InChIKeyIHGLUUTVNJVFJS-UHFFFAOYSA-N
XLogP1.85
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid
CID 131039451
(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid
CID 131029267
2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
CID 22309144
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
CID 7046821
2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid
CID 117488957
2-amino-2-(3,6-dimethoxy-2-methylsulfonylphenyl)acetic acid
CID 117467276
2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84794912
(2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid
CID 66512743
3-(2-bromo-6-methoxy-3-methylphenyl)-2-methylpropanoic acid
CID 84813954
2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid
CID 84689653
2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid
CID 84805752
2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid
CID 117468156

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid (CID 84713752) is 2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid is COc1ccc(C)c(C(N)C(=O)O)c1Br.
What is the InChIKey of 2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid?
The InChIKey is IHGLUUTVNJVFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-5-3-4-6(15-2)8(11)7(5)9(12)10(13)14/h3-4,9H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid?
2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid has a molecular weight of 274.11 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid is sourced from PubChem (CID 84713752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).