3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid

C11H15NO3 — CID 84676800

IUPAC3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1cc(N)cc(CC(C)C(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-7(11(13)14)3-8-4-9(12)6-10(5-8)15-2/h4-7H,3,12H2,1-2H3,(H,13,14)
InChIKeyJGSUCMDHCYEEKO-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.54
Rot. Bonds4

About 3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid

3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid (PubChem CID 84676800) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid
PubChem CID84676800
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1cc(N)cc(CC(C)C(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-7(11(13)14)3-8-4-9(12)6-10(5-8)15-2/h4-7H,3,12H2,1-2H3,(H,13,14)
InChIKeyJGSUCMDHCYEEKO-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
3-(3-aminophenyl)-2-methylpropanoic acid
CID 66894775
(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 71742199
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
3-(3,5-dimethoxyphenyl)-2-sulfanylpropanoic acid
CID 60795029
(2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869077
(2R)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869075
methyl 2-[(3-amino-5-methoxyphenyl)methylsulfonyl]acetate
CID 81154697
3-(fluoromethyl)-5-methoxyaniline
CID 90226418
4-[(3-amino-5-methoxyphenyl)methyl-methylamino]butan-2-ol
CID 113499528
3-(2,5-dimethoxy-3-methylphenyl)-2-methylpropanoic acid
CID 117349142

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid (CID 84676800) is 3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid is COc1cc(N)cc(CC(C)C(=O)O)c1.
What is the InChIKey of 3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid?
The InChIKey is JGSUCMDHCYEEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(11(13)14)3-8-4-9(12)6-10(5-8)15-2/h4-7H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid?
3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 84676800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).