2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid

C11H14BrNO3 — CID 170879238

IUPAC2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(Br)cc1CC(N)C(=O)O
InChIInChI=1S/C11H14BrNO3/c1-2-16-10-4-3-8(12)5-7(10)6-9(13)11(14)15/h3-5,9H,2,6,13H2,1H3,(H,14,15)
InChIKeyGRSQPEGRLFDXGH-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.80
Rot. Bonds5

About 2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid

2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid (PubChem CID 170879238) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
PubChem CID170879238
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(Br)cc1CC(N)C(=O)O
InChIInChI=1S/C11H14BrNO3/c1-2-16-10-4-3-8(12)5-7(10)6-9(13)11(14)15/h3-5,9H,2,6,13H2,1H3,(H,14,15)
InChIKeyGRSQPEGRLFDXGH-UHFFFAOYSA-N
XLogP1.80
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
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3-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 53417383
2-amino-3-(2,3-diethoxyphenyl)propanoic acid
CID 170879597
2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid
CID 62963313
(2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid
CID 130607819
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336
1-[5-bromo-2-(ethoxymethoxy)phenyl]propan-2-amine
CID 65369215
2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide
CID 119319329
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid (CID 170879238) is 2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid is CCOc1ccc(Br)cc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid?
The InChIKey is GRSQPEGRLFDXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-2-16-10-4-3-8(12)5-7(10)6-9(13)11(14)15/h3-5,9H,2,6,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid?
2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid has a molecular weight of 288.14 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 170879238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).