2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid

C9H10BrNO3 — CID 82623810

IUPAC2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(N)C(=O)O)c(Br)c1
InChIInChI=1S/C9H10BrNO3/c1-14-5-2-3-6(7(10)4-5)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)
InChIKeyIUJOFXWBPLUIPZ-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.54
Rot. Bonds3

About 2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid

2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid (PubChem CID 82623810) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid
PubChem CID82623810
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(N)C(=O)O)c(Br)c1
InChIInChI=1S/C9H10BrNO3/c1-14-5-2-3-6(7(10)4-5)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)
InChIKeyIUJOFXWBPLUIPZ-UHFFFAOYSA-N
XLogP1.54
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(2-fluoro-5-methoxyphenyl)acetic acid
CID 66510641
(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
CID 66512330
2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid
CID 117323079
2-amino-2-(4-methoxy-2-methylsulfonylphenyl)acetic acid
CID 84806180
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
CID 82623845
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
(2S)-2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 131437530
(2-bromo-4-methoxyphenyl)-phenylmethanamine
CID 60785941
2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 69148385
2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid
CID 82626061
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid (CID 82623810) is 2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid is COc1ccc(C(N)C(=O)O)c(Br)c1.
What is the InChIKey of 2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid?
The InChIKey is IUJOFXWBPLUIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-14-5-2-3-6(7(10)4-5)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid?
2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid has a molecular weight of 260.09 g/mol, XLogP of 1.54, 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-4-methoxyphenyl)acetic acid is sourced from PubChem (CID 82623810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).