2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid

C10H12BrNO3 — CID 164851883

IUPAC2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(N)(Br)C(=O)O
InChIInChI=1S/C10H12BrNO3/c1-15-8-5-3-2-4-7(8)6-10(11,12)9(13)14/h2-5H,6,12H2,1H3,(H,13,14)
InChIKeyMNMUWSONAHEWBJ-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.37
Rot. Bonds4

About 2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid

2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid (PubChem CID 164851883) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid
PubChem CID164851883
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(N)(Br)C(=O)O
InChIInChI=1S/C10H12BrNO3/c1-15-8-5-3-2-4-7(8)6-10(11,12)9(13)14/h2-5H,6,12H2,1H3,(H,13,14)
InChIKeyMNMUWSONAHEWBJ-UHFFFAOYSA-N
XLogP1.37
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 116573767
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CID 81482461
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid
CID 63688568
3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 60929115
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CID 61080267
4-(2-methoxyphenyl)but-2-ynoic acid
CID 64535193
3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 60997285
3-(2-methoxyphenyl)-2-methyl-2-(prop-2-ynylamino)propanoic acid
CID 61341210
2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid
CID 60929248
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2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid (CID 164851883) is 2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid is COc1ccccc1CC(N)(Br)C(=O)O.
What is the InChIKey of 2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid?
The InChIKey is MNMUWSONAHEWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-15-8-5-3-2-4-7(8)6-10(11,12)9(13)14/h2-5H,6,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid?
2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid has a molecular weight of 274.11 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 164851883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).