4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid

C15H23NO2 — CID 65298101

IUPAC4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid
SMILESCc1cc(C)c(C(N)CC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C15H23NO2/c1-9-6-10(2)13(11(3)7-9)12(16)8-15(4,5)14(17)18/h6-7,12H,8,16H2,1-5H3,(H,17,18)
InChIKeyZRHXCXDSPMZWGD-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.11
Rot. Bonds4

About 4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid

4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid (PubChem CID 65298101) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid
PubChem CID65298101
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid
SMILESCc1cc(C)c(C(N)CC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C15H23NO2/c1-9-6-10(2)13(11(3)7-9)12(16)8-15(4,5)14(17)18/h6-7,12H,8,16H2,1-5H3,(H,17,18)
InChIKeyZRHXCXDSPMZWGD-UHFFFAOYSA-N
XLogP3.11
TPSA63.32 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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)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-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-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 65298192
4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid
CID 65298529
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
2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 84783100
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
methyl 4-amino-4-(2,4,6-trimethylphenyl)butanoate
CID 60862319
2,2-dimethyl-3-(2,4,6-trimethylphenyl)sulfanylpropanoic acid
CID 116853026
5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 105024104
2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid
CID 82131216

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid?
The IUPAC name of 4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid (CID 65298101) is 4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid.
What is the SMILES notation for 4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid?
The canonical SMILES for 4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid is Cc1cc(C)c(C(N)CC(C)(C)C(=O)O)c(C)c1.
What is the InChIKey of 4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid?
The InChIKey is ZRHXCXDSPMZWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9-6-10(2)13(11(3)7-9)12(16)8-15(4,5)14(17)18/h6-7,12H,8,16H2,1-5H3,(H,17,18).
What are the key properties of 4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid?
4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid has a molecular weight of 249.35 g/mol, XLogP of 3.11, 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-(2,4,6-trimethylphenyl)butanoic acid is sourced from PubChem (CID 65298101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).