2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid

C11H14BrNO3 — CID 115004637

IUPAC2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid
SMILESCOc1c(Br)cc(C)cc1CC(N)C(=O)O
InChIInChI=1S/C11H14BrNO3/c1-6-3-7(5-9(13)11(14)15)10(16-2)8(12)4-6/h3-4,9H,5,13H2,1-2H3,(H,14,15)
InChIKeyPJOLMHCCCPPSQE-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.72
Rot. Bonds4

About 2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid

2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid (PubChem CID 115004637) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid
PubChem CID115004637
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid
SMILESCOc1c(Br)cc(C)cc1CC(N)C(=O)O
InChIInChI=1S/C11H14BrNO3/c1-6-3-7(5-9(13)11(14)15)10(16-2)8(12)4-6/h3-4,9H,5,13H2,1-2H3,(H,14,15)
InChIKeyPJOLMHCCCPPSQE-UHFFFAOYSA-N
XLogP1.72
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(3-bromo-2-methoxy-5-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-(5-bromo-2,3-difluoro-4-methoxyphenyl)propanoic acid
CID 117494624
2-amino-3-(3-bromo-4-methoxy-5-methylphenyl)propanoic acid
CID 117464888
ethyl 2-(3-bromo-2-methoxy-5-methylphenyl)acetate
CID 13360648
2-amino-3-(5-chloro-2,3-dimethoxy-4-methylphenyl)propanoic acid
CID 117437019
2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid
CID 82626061
2-amino-3-(3,4-dimethoxy-2,5-dimethylphenyl)propanoic acid
CID 117385942
2-amino-3-(4,5-dimethoxy-2,3-dimethylphenyl)propanoic acid
CID 117385929
2-amino-3-(5-chloro-2-hydroxy-4-methoxy-3-methylphenyl)propanoic acid
CID 117403271
2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid
CID 84810240
2-amino-3-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)propanoic acid
CID 84701184
2-amino-3-(3-fluoro-2,4,5-trimethoxyphenyl)propanoic acid
CID 117435384
2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid
CID 117323060

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid (CID 115004637) is 2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid is COc1c(Br)cc(C)cc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid?
The InChIKey is PJOLMHCCCPPSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-6-3-7(5-9(13)11(14)15)10(16-2)8(12)4-6/h3-4,9H,5,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid?
2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid has a molecular weight of 288.14 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid is sourced from PubChem (CID 115004637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).