4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid

C16H25NO2 — CID 116938292

IUPAC4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
SMILESCc1cc(C)c(C)c(C(N)C(C)(C)CC(=O)O)c1C
InChIInChI=1S/C16H25NO2/c1-9-7-10(2)12(4)14(11(9)3)15(17)16(5,6)8-13(18)19/h7,15H,8,17H2,1-6H3,(H,18,19)
InChIKeyGUWZRKKAOPHWIH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.42
Rot. Bonds4

About 4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid

4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid (PubChem CID 116938292) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
PubChem CID116938292
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
SMILESCc1cc(C)c(C)c(C(N)C(C)(C)CC(=O)O)c1C
InChIInChI=1S/C16H25NO2/c1-9-7-10(2)12(4)14(11(9)3)15(17)16(5,6)8-13(18)19/h7,15H,8,17H2,1-6H3,(H,18,19)
InChIKeyGUWZRKKAOPHWIH-UHFFFAOYSA-N
XLogP3.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(5-bromo-2-methylphenyl)-3,3-dimethylbutanoic acid
CID 116938329
4-amino-4-(4-fluoro-3-methylphenyl)-3,3-dimethylbutanoic acid
CID 116938269
4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 65298192
4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid
CID 116938337
4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid
CID 116938298
3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 116926827
3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid
CID 116937994
5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid
CID 63535150
3-amino-4-(2,3,5,6-tetramethylanilino)butanoic acid
CID 115241453
(E)-4-amino-4-(2,3,5,6-tetramethylphenyl)but-2-enoic acid
CID 116940848
5-amino-5-(2,5-dibromo-4-methylphenyl)-3,3-dimethylpentanoic acid
CID 81473050
3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid
CID 116962917

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid?
The IUPAC name of 4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid (CID 116938292) is 4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid.
What is the SMILES notation for 4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid?
The canonical SMILES for 4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid is Cc1cc(C)c(C)c(C(N)C(C)(C)CC(=O)O)c1C.
What is the InChIKey of 4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid?
The InChIKey is GUWZRKKAOPHWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-9-7-10(2)12(4)14(11(9)3)15(17)16(5,6)8-13(18)19/h7,15H,8,17H2,1-6H3,(H,18,19).
What are the key properties of 4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid?
4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid is sourced from PubChem (CID 116938292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).