2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid

C10H12BrNO4 — CID 117468151

IUPAC2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid
SMILESCOc1ccc(Br)c(CC(N)C(=O)O)c1O
InChIInChI=1S/C10H12BrNO4/c1-16-8-3-2-6(11)5(9(8)13)4-7(12)10(14)15/h2-3,7,13H,4,12H2,1H3,(H,14,15)
InChIKeyUGFKEVQICXPWFQ-UHFFFAOYSA-N
MW290.11 g/mol
LogP1.12
Rot. Bonds4

About 2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid

2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid (PubChem CID 117468151) has the molecular formula C10H12BrNO4 and a molecular weight of 290.11 g/mol. Its IUPAC name is 2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid
PubChem CID117468151
Molecular FormulaC10H12BrNO4
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Name2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid
SMILESCOc1ccc(Br)c(CC(N)C(=O)O)c1O
InChIInChI=1S/C10H12BrNO4/c1-16-8-3-2-6(11)5(9(8)13)4-7(12)10(14)15/h2-3,7,13H,4,12H2,1H3,(H,14,15)
InChIKeyUGFKEVQICXPWFQ-UHFFFAOYSA-N
XLogP1.12
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(6-bromo-2,3-dihydroxyphenyl)propanoic acid
CID 117441558
2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid
CID 84792577
2-amino-3-(3,6-dimethoxy-2-propan-2-ylphenyl)propanoic acid
CID 117421664
(6-bromo-2-hydroxy-3-methoxyphenyl)methyl-triphenylphosphanium
CID 86655560
(2S)-2-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoic acid
CID 93478159
(2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid
CID 96589023
2-amino-3-(2,3-dimethoxy-6-nitrophenyl)propanoic acid
CID 170879641
2-amino-3-(3-ethyl-2,4-dimethoxyphenyl)propanoic acid
CID 117385932
2-amino-3-(2-bromo-7-methoxy-1,4-dimethylindol-3-yl)propanoic acid
CID 84646705
2-amino-3-(3-bromo-2,6-difluoro-4-methoxyphenyl)propanoic acid
CID 117494622
2-amino-3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propanoic acid
CID 117426358
3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117434988

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid (CID 117468151) is 2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid is COc1ccc(Br)c(CC(N)C(=O)O)c1O.
What is the InChIKey of 2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid?
The InChIKey is UGFKEVQICXPWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4/c1-16-8-3-2-6(11)5(9(8)13)4-7(12)10(14)15/h2-3,7,13H,4,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid?
2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid has a molecular weight of 290.11 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117468151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).