2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid

C11H15NO3 — CID 141045302

IUPAC2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1ccc(C(C)(C)C(=O)O)cc1N
InChIInChI=1S/C11H15NO3/c1-11(2,10(13)14)7-4-5-9(15-3)8(12)6-7/h4-6H,12H2,1-3H3,(H,13,14)
InChIKeyHKCPXURIKXTKPE-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.64
Rot. Bonds3

About 2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid

2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid (PubChem CID 141045302) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid
PubChem CID141045302
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1ccc(C(C)(C)C(=O)O)cc1N
InChIInChI=1S/C11H15NO3/c1-11(2,10(13)14)7-4-5-9(15-3)8(12)6-7/h4-6H,12H2,1-3H3,(H,13,14)
InChIKeyHKCPXURIKXTKPE-UHFFFAOYSA-N
XLogP1.64
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.64
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

2-(3-methoxy-4-sulfanylphenyl)-2-methylpropanoic acid
CID 22504943
2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid
CID 82131491
(3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone
CID 39383239
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119419317
2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride
CID 2757944
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119419316
2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid
CID 82039191
2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride
CID 82133157
2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 82098466
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
3-(3-amino-4-methoxybenzoyl)oxy-2,2-dimethylpropanoic acid
CID 79619680
tert-butyl (E)-3-(3-amino-4-methoxyphenyl)prop-2-enoate
CID 42640186

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid (CID 141045302) is 2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid is COc1ccc(C(C)(C)C(=O)O)cc1N.
What is the InChIKey of 2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid?
The InChIKey is HKCPXURIKXTKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,10(13)14)7-4-5-9(15-3)8(12)6-7/h4-6H,12H2,1-3H3,(H,13,14).
What are the key properties of 2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid?
2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 141045302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).