2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid

C11H15NO4 — CID 117323060

IUPAC2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid
SMILESCOc1cc(CC(N)C(=O)O)c(O)cc1C
InChIInChI=1S/C11H15NO4/c1-6-3-9(13)7(5-10(6)16-2)4-8(12)11(14)15/h3,5,8,13H,4,12H2,1-2H3,(H,14,15)
InChIKeyHUYUECZUOJETOI-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.66
Rot. Bonds4

About 2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid

2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid (PubChem CID 117323060) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid
PubChem CID117323060
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid
SMILESCOc1cc(CC(N)C(=O)O)c(O)cc1C
InChIInChI=1S/C11H15NO4/c1-6-3-9(13)7(5-10(6)16-2)4-8(12)11(14)15/h3,5,8,13H,4,12H2,1-2H3,(H,14,15)
InChIKeyHUYUECZUOJETOI-UHFFFAOYSA-N
XLogP0.66
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxy-5-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 117321917
2-amino-3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid
CID 117329895
2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117326521
2-amino-3-(4,5-dihydroxy-2-methylphenyl)propanoic acid
CID 21295204
2-amino-3-(4,5-dimethoxy-2,3-dimethylphenyl)propanoic acid
CID 117385929
2-amino-3-(3-fluoro-2,4,5-trimethoxyphenyl)propanoic acid
CID 117435384
2-amino-3-(4,5-dimethoxy-2-propan-2-ylphenyl)propanoic acid
CID 117421669
2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid
CID 146168544
2-(aminomethyl)-4-methoxy-5-methylphenol
CID 67518615
2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid
CID 117426372
2-amino-3-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)propanoic acid
CID 84701184
2-amino-3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117447869

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid (CID 117323060) is 2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid is COc1cc(CC(N)C(=O)O)c(O)cc1C.
What is the InChIKey of 2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid?
The InChIKey is HUYUECZUOJETOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-6-3-9(13)7(5-10(6)16-2)4-8(12)11(14)15/h3,5,8,13H,4,12H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid?
2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid is sourced from PubChem (CID 117323060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).