4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid

C15H23NO3 — CID 116938499

IUPAC4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid
SMILESCOc1cc(C)c(C(N)CC(C)(C)C(=O)O)cc1C
InChIInChI=1S/C15H23NO3/c1-9-7-13(19-5)10(2)6-11(9)12(16)8-15(3,4)14(17)18/h6-7,12H,8,16H2,1-5H3,(H,17,18)
InChIKeyRGIURGSSJLTHGW-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.81
Rot. Bonds5

About 4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid

4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid (PubChem CID 116938499) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid
PubChem CID116938499
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid
SMILESCOc1cc(C)c(C(N)CC(C)(C)C(=O)O)cc1C
InChIInChI=1S/C15H23NO3/c1-9-7-13(19-5)10(2)6-11(9)12(16)8-15(3,4)14(17)18/h6-7,12H,8,16H2,1-5H3,(H,17,18)
InChIKeyRGIURGSSJLTHGW-UHFFFAOYSA-N
XLogP2.81
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938518
4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutanoic acid
CID 116938400
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide
CID 116850294
3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid
CID 82291639
1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine
CID 105032908
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938026
4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 65298192
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid
CID 65298101
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763
3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
CID 116848790

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid (CID 116938499) is 4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid is COc1cc(C)c(C(N)CC(C)(C)C(=O)O)cc1C.
What is the InChIKey of 4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid?
The InChIKey is RGIURGSSJLTHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9-7-13(19-5)10(2)6-11(9)12(16)8-15(3,4)14(17)18/h6-7,12H,8,16H2,1-5H3,(H,17,18).
What are the key properties of 4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid?
4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 116938499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).