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

C11H15NO4 — CID 84689657

IUPAC3-amino-2-(2-hydroxy-5-methoxy-3-methylphenyl)propanoic acid
SMILESCOc1cc(C)c(O)c(C(CN)C(=O)O)c1
InChIInChI=1S/C11H15NO4/c1-6-3-7(16-2)4-8(10(6)13)9(5-12)11(14)15/h3-4,9,13H,5,12H2,1-2H3,(H,14,15)
InChIKeyPWYAJOSVKCNGPL-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.84
Rot. Bonds4

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

3-amino-2-(2-hydroxy-5-methoxy-3-methylphenyl)propanoic acid (PubChem CID 84689657) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-amino-2-(2-hydroxy-5-methoxy-3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(2-hydroxy-5-methoxy-3-methylphenyl)propanoic acid
PubChem CID84689657
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-amino-2-(2-hydroxy-5-methoxy-3-methylphenyl)propanoic acid
SMILESCOc1cc(C)c(O)c(C(CN)C(=O)O)c1
InChIInChI=1S/C11H15NO4/c1-6-3-7(16-2)4-8(10(6)13)9(5-12)11(14)15/h3-4,9,13H,5,12H2,1-2H3,(H,14,15)
InChIKeyPWYAJOSVKCNGPL-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 82612040
3-amino-2-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)propanoic acid
CID 84701186
3-(2-amino-1-carboxyethyl)-4-hydroxy-5-methoxybenzoic acid
CID 117390534
3-amino-2-(5-bromo-3-fluoro-4-hydroxy-2-methoxyphenyl)propanoic acid
CID 117492875
2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
CID 84665966
3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 22339835
3-amino-2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117350484
3-amino-2-(3-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117323026
2-hydroxy-2-(5-methoxy-2,3-dimethylphenyl)acetic acid
CID 119014767
3-amino-2-(2,3,5-trimethylphenyl)propanoic acid
CID 117296257
3-amino-2-(2-bromo-5-hydroxy-3-methylphenyl)propanoic acid
CID 84810210
3-amino-2-(5-bromo-3-fluoro-2-methoxyphenyl)propanoic acid
CID 117471394

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-hydroxy-5-methoxy-3-methylphenyl)propanoic acid?
The IUPAC name of 3-amino-2-(2-hydroxy-5-methoxy-3-methylphenyl)propanoic acid (CID 84689657) is 3-amino-2-(2-hydroxy-5-methoxy-3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-(2-hydroxy-5-methoxy-3-methylphenyl)propanoic acid?
The canonical SMILES for 3-amino-2-(2-hydroxy-5-methoxy-3-methylphenyl)propanoic acid is COc1cc(C)c(O)c(C(CN)C(=O)O)c1.
What is the InChIKey of 3-amino-2-(2-hydroxy-5-methoxy-3-methylphenyl)propanoic acid?
The InChIKey is PWYAJOSVKCNGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-6-3-7(16-2)4-8(10(6)13)9(5-12)11(14)15/h3-4,9,13H,5,12H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-2-(2-hydroxy-5-methoxy-3-methylphenyl)propanoic acid?
3-amino-2-(2-hydroxy-5-methoxy-3-methylphenyl)propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-hydroxy-5-methoxy-3-methylphenyl)propanoic acid is sourced from PubChem (CID 84689657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).