2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid

C11H15NO3 — CID 125425539

IUPAC2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid
SMILESCc1ccc(N)c(OC(C)(C)C(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-7-4-5-8(12)9(6-7)15-11(2,3)10(13)14/h4-6H,12H2,1-3H3,(H,13,14)
InChIKeyGGIUHFUQMSMXQD-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.82
Rot. Bonds3

About 2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid

2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid (PubChem CID 125425539) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid
PubChem CID125425539
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid
SMILESCc1ccc(N)c(OC(C)(C)C(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-7-4-5-8(12)9(6-7)15-11(2,3)10(13)14/h4-6H,12H2,1-3H3,(H,13,14)
InChIKeyGGIUHFUQMSMXQD-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid
CID 71361745
3-(2-amino-5-methylphenoxy)propanoic acid
CID 63948473
(2-amino-5-methylphenyl) 2-methylprop-2-enoate
CID 174418945
4-amino-3-(2-chloro-4-methylphenoxy)benzoic acid
CID 82795757
2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride
CID 82117779
(2S,3S)-3-(2-amino-5-methylphenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 90037055
3-(2-amino-5-methylphenoxy)-2-methylpropanamide
CID 43311815
ethyl 2-(2-amino-5-methylphenoxy)pentanoate
CID 83034439
2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid
CID 143439170
2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid
CID 114990557
2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid
CID 162371088
2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid
CID 66887294

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid?
The IUPAC name of 2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid (CID 125425539) is 2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid is Cc1ccc(N)c(OC(C)(C)C(=O)O)c1.
What is the InChIKey of 2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid?
The InChIKey is GGIUHFUQMSMXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-4-5-8(12)9(6-7)15-11(2,3)10(13)14/h4-6H,12H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid?
2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid is sourced from PubChem (CID 125425539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).