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

C11H15NO3 — CID 82098466

IUPAC2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
SMILESCOc1ccc(C(C)(N)C(=O)O)cc1C
InChIInChI=1S/C11H15NO3/c1-7-6-8(4-5-9(7)15-3)11(2,12)10(13)14/h4-6H,12H2,1-3H3,(H,13,14)
InChIKeyPSCZURPONJGKCX-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.26
Rot. Bonds3

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

2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid (PubChem CID 82098466) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
PubChem CID82098466
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
SMILESCOc1ccc(C(C)(N)C(=O)O)cc1C
InChIInChI=1S/C11H15NO3/c1-7-6-8(4-5-9(7)15-3)11(2,12)10(13)14/h4-6H,12H2,1-3H3,(H,13,14)
InChIKeyPSCZURPONJGKCX-UHFFFAOYSA-N
XLogP1.26
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride
CID 82133157
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride
CID 82135336
2-(4-methoxy-3-methylphenyl)butan-2-amine
CID 82469033
methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 116963053
2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 82129155
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
(2S)-2-amino-2-(2-methoxy-4,6-dimethylphenyl)propanoic acid
CID 165354727
(2S)-2-amino-2-[3,4-di(propanoyloxy)phenyl]propanoic acid
CID 69169012
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene
CID 20723728
2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid
CID 141045302

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid?
The IUPAC name of 2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid (CID 82098466) is 2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid?
The canonical SMILES for 2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid is COc1ccc(C(C)(N)C(=O)O)cc1C.
What is the InChIKey of 2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid?
The InChIKey is PSCZURPONJGKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-6-8(4-5-9(7)15-3)11(2,12)10(13)14/h4-6H,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid?
2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid is sourced from PubChem (CID 82098466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).