2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid

C15H23NO2 — CID 116953327

IUPAC2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid
SMILESCNC(c1c(C)c(C)cc(C)c1C)C(C)C(=O)O
InChIInChI=1S/C15H23NO2/c1-8-7-9(2)11(4)13(10(8)3)14(16-6)12(5)15(17)18/h7,12,14,16H,1-6H3,(H,17,18)
InChIKeyXXJQXRYNZVNMJJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.90
Rot. Bonds4

About 2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid

2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid (PubChem CID 116953327) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid
PubChem CID116953327
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid
SMILESCNC(c1c(C)c(C)cc(C)c1C)C(C)C(=O)O
InChIInChI=1S/C15H23NO2/c1-8-7-9(2)11(4)13(10(8)3)14(16-6)12(5)15(17)18/h7,12,14,16H,1-6H3,(H,17,18)
InChIKeyXXJQXRYNZVNMJJ-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid?
The IUPAC name of 2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid (CID 116953327) is 2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid?
The canonical SMILES for 2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid is CNC(c1c(C)c(C)cc(C)c1C)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid?
The InChIKey is XXJQXRYNZVNMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-8-7-9(2)11(4)13(10(8)3)14(16-6)12(5)15(17)18/h7,12,14,16H,1-6H3,(H,17,18).
What are the key properties of 2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid?
2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid is sourced from PubChem (CID 116953327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).