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

C16H25NO2 — CID 65298192

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

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

4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid (PubChem CID 65298192) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
PubChem CID65298192
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
SMILESCc1cc(C)c(C)c(C(N)CC(C)(C)C(=O)O)c1C
InChIInChI=1S/C16H25NO2/c1-9-7-10(2)12(4)14(11(9)3)13(17)8-16(5,6)15(18)19/h7,13H,8,17H2,1-6H3,(H,18,19)
InChIKeyBBXYMDZOTAMXKF-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid
CID 65298529
4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid
CID 65298101
4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 106879109
4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938518
4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 116938292
4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938499
4-amino-2,2-dimethyl-4-(2-methyl-1H-indol-3-yl)butanoic acid
CID 116938506
methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate
CID 61329545
4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide
CID 65297514
methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate
CID 54927569
4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanoic acid
CID 79737356
3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid
CID 116937994

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid?
The IUPAC name of 4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid (CID 65298192) is 4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid.
What is the SMILES notation for 4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid?
The canonical SMILES for 4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid is Cc1cc(C)c(C)c(C(N)CC(C)(C)C(=O)O)c1C.
What is the InChIKey of 4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid?
The InChIKey is BBXYMDZOTAMXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-9-7-10(2)12(4)14(11(9)3)13(17)8-16(5,6)15(18)19/h7,13H,8,17H2,1-6H3,(H,18,19).
What are the key properties of 4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid?
4-amino-2,2-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-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid is sourced from PubChem (CID 65298192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).