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

C11H15NO3 — CID 82612040

IUPAC3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid
SMILESCOc1ccc(C(CN)C(=O)O)c(C)c1
InChIInChI=1S/C11H15NO3/c1-7-5-8(15-2)3-4-9(7)10(6-12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)
InChIKeyUYYUADSBJNDDIV-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.13
Rot. Bonds4

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

3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid (PubChem CID 82612040) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid
PubChem CID82612040
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid
SMILESCOc1ccc(C(CN)C(=O)O)c(C)c1
InChIInChI=1S/C11H15NO3/c1-7-5-8(15-2)3-4-9(7)10(6-12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)
InChIKeyUYYUADSBJNDDIV-UHFFFAOYSA-N
XLogP1.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117350484
3-amino-2-(2-hydroxy-5-methoxy-3-methylphenyl)propanoic acid
CID 84689657
4-amino-3-(4-methoxy-2-methylphenyl)butanoic acid
CID 82617488
3-amino-2-(4-bromo-2-methylphenyl)propanoic acid
CID 84805732
3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83956081
3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83950554
2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
CID 170823897
2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 83955405
3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83952270
2-(4-methoxy-2-methylphenyl)-3-(4-nitrophenyl)propanoic acid
CID 112721183
ethyl (3S)-3-amino-2-fluoro-3-(4-methoxy-2-methylphenyl)propanoate
CID 171250977
2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine
CID 83936405

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid?
The IUPAC name of 3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid (CID 82612040) is 3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid?
The canonical SMILES for 3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid is COc1ccc(C(CN)C(=O)O)c(C)c1.
What is the InChIKey of 3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid?
The InChIKey is UYYUADSBJNDDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-5-8(15-2)3-4-9(7)10(6-12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid?
3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid is sourced from PubChem (CID 82612040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).