3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid

C16H25NO2 — CID 84747346

IUPAC3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid
SMILESCN(C)C(C)(Cc1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C16H25NO2/c1-15(2,3)13-9-7-12(8-10-13)11-16(4,14(18)19)17(5)6/h7-10H,11H2,1-6H3,(H,18,19)
InChIKeyMKDRBMKWOYVMJY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.93
Rot. Bonds4

About 3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid

3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid (PubChem CID 84747346) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid
PubChem CID84747346
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid
SMILESCN(C)C(C)(Cc1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C16H25NO2/c1-15(2,3)13-9-7-12(8-10-13)11-16(4,14(18)19)17(5)6/h7-10H,11H2,1-6H3,(H,18,19)
InChIKeyMKDRBMKWOYVMJY-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid
CID 11822623
2-[(4-tert-butylphenyl)methyl]-2-ethylbutanoic acid
CID 63402911
2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid
CID 83148534
(2S)-2-[ethyl(methyl)amino]-2-methyl-3-phenylpropanoic acid
CID 91206478
3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one
CID 19049443
2-[butan-2-yl(methyl)amino]-2-methyl-3-phenylpropanoic acid
CID 114992824
1-(4-tert-butylphenyl)propane-2,2-diol
CID 175500089
2-bromo-3-[4-(2-bromo-2-carboxypropyl)phenyl]-2-methylpropanoic acid
CID 170340891
(4-tert-butylphenyl)methanamine;oxalic acid
CID 146079454
1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene
CID 82255100
2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 23377158
azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide
CID 174880541

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid (CID 84747346) is 3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid is CN(C)C(C)(Cc1ccc(C(C)(C)C)cc1)C(=O)O.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid?
The InChIKey is MKDRBMKWOYVMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2,3)13-9-7-12(8-10-13)11-16(4,14(18)19)17(5)6/h7-10H,11H2,1-6H3,(H,18,19).
What are the key properties of 3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid?
3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid has a molecular weight of 263.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid is sourced from PubChem (CID 84747346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).