2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid

C10H12BrNO3 — CID 84810240

IUPAC2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid
SMILESCc1cc(O)c(CC(N)C(=O)O)c(Br)c1
InChIInChI=1S/C10H12BrNO3/c1-5-2-7(11)6(9(13)3-5)4-8(12)10(14)15/h2-3,8,13H,4,12H2,1H3,(H,14,15)
InChIKeyZDGCQFNMOLXLHT-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.42
Rot. Bonds3

About 2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid

2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid (PubChem CID 84810240) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid
PubChem CID84810240
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid
SMILESCc1cc(O)c(CC(N)C(=O)O)c(Br)c1
InChIInChI=1S/C10H12BrNO3/c1-5-2-7(11)6(9(13)3-5)4-8(12)10(14)15/h2-3,8,13H,4,12H2,1H3,(H,14,15)
InChIKeyZDGCQFNMOLXLHT-UHFFFAOYSA-N
XLogP1.42
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(3-bromo-4-hydroxy-2,6-dimethylphenyl)propanoic acid
CID 117464878
(2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid
CID 96589023
(2S)-2-amino-3-(2,4,6-trihydroxyphenyl)propanoic acid;hydrochloride
CID 91928391
2-amino-3-(3-bromo-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid
CID 117471347
2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid
CID 115004637
1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one
CID 84801898
2-amino-3-(6-bromo-2,3-dihydroxyphenyl)propanoic acid
CID 117441558
2-amino-3-(4,5-dihydroxy-2-methylphenyl)propanoic acid
CID 21295204
methyl 2-amino-3-(2-hydroxy-4,6-dimethylphenyl)propanoate
CID 155822076
2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid
CID 170879455
2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117468151
4-[(2S)-2-amino-2-carboxyethyl]-3,5-dimethylbenzoic acid;hydrochloride
CID 141482509

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid (CID 84810240) is 2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid is Cc1cc(O)c(CC(N)C(=O)O)c(Br)c1.
What is the InChIKey of 2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid?
The InChIKey is ZDGCQFNMOLXLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-5-2-7(11)6(9(13)3-5)4-8(12)10(14)15/h2-3,8,13H,4,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid?
2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid has a molecular weight of 274.11 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid is sourced from PubChem (CID 84810240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).