2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid

C16H25NO2 — CID 116953757

IUPAC2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid
SMILESCNC(CC(C)(C)C(=O)O)c1ccc(C)c(C)c1C
InChIInChI=1S/C16H25NO2/c1-10-7-8-13(12(3)11(10)2)14(17-6)9-16(4,5)15(18)19/h7-8,14,17H,9H2,1-6H3,(H,18,19)
InChIKeyYUGJEKOZVHMUSC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.37
Rot. Bonds5

About 2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid

2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid (PubChem CID 116953757) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid
PubChem CID116953757
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid
SMILESCNC(CC(C)(C)C(=O)O)c1ccc(C)c(C)c1C
InChIInChI=1S/C16H25NO2/c1-10-7-8-13(12(3)11(10)2)14(17-6)9-16(4,5)15(18)19/h7-8,14,17H,9H2,1-6H3,(H,18,19)
InChIKeyYUGJEKOZVHMUSC-UHFFFAOYSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4-(methylamino)-4-phenylbutanoic acid
CID 116953706
2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid
CID 150114783
4-(5-bromo-2-methoxyphenyl)-2,2-dimethyl-4-(methylamino)butanoic acid
CID 116953728
2,2-dimethyl-4-(methylamino)-4-(4-methylsulfanylphenyl)butanoic acid
CID 116953739
N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116949089
N'-ethyl-N-methyl-1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116950402
N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116949515
4-(3,4-difluorophenyl)-2,2-dimethyl-4-(methylamino)butanoic acid
CID 116953732
1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one
CID 116955940
2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid
CID 116961134
4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid
CID 65297898
ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate
CID 116961364

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid (CID 116953757) is 2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid is CNC(CC(C)(C)C(=O)O)c1ccc(C)c(C)c1C.
What is the InChIKey of 2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid?
The InChIKey is YUGJEKOZVHMUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10-7-8-13(12(3)11(10)2)14(17-6)9-16(4,5)15(18)19/h7-8,14,17H,9H2,1-6H3,(H,18,19).
What are the key properties of 2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid?
2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid is sourced from PubChem (CID 116953757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).