4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid

C15H23NO3 — CID 116938518

IUPAC4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid
SMILESCOc1cc(C)cc(C)c1C(N)CC(C)(C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-9-6-10(2)13(12(7-9)19-5)11(16)8-15(3,4)14(17)18/h6-7,11H,8,16H2,1-5H3,(H,17,18)
InChIKeyYLFPOTAWGCUQCO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.81
Rot. Bonds5

About 4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid

4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid (PubChem CID 116938518) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid
PubChem CID116938518
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid
SMILESCOc1cc(C)cc(C)c1C(N)CC(C)(C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-9-6-10(2)13(12(7-9)19-5)11(16)8-15(3,4)14(17)18/h6-7,11H,8,16H2,1-5H3,(H,17,18)
InChIKeyYLFPOTAWGCUQCO-UHFFFAOYSA-N
XLogP2.81
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid
CID 65298101
4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938499
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 106879109
4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 65298192
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid
CID 65298529
(1S)-1-(2,6-dimethoxy-4-methylphenyl)-3,3,3-trifluoropropan-1-amine
CID 171235561
3-amino-3-(2-methoxy-4,6-dimethylphenyl)propanenitrile
CID 116851261
1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine
CID 106680616
1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106682653
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116934935

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid (CID 116938518) is 4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid is COc1cc(C)cc(C)c1C(N)CC(C)(C)C(=O)O.
What is the InChIKey of 4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid?
The InChIKey is YLFPOTAWGCUQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9-6-10(2)13(12(7-9)19-5)11(16)8-15(3,4)14(17)18/h6-7,11H,8,16H2,1-5H3,(H,17,18).
What are the key properties of 4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid?
4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 116938518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).