4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid

C15H23NO3 — CID 116938298

IUPAC4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid
SMILESCCOc1ccc(C(N)C(C)(C)CC(=O)O)cc1C
InChIInChI=1S/C15H23NO3/c1-5-19-12-7-6-11(8-10(12)2)14(16)15(3,4)9-13(17)18/h6-8,14H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyXQLWDJDPLCQKOE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.89
Rot. Bonds6

About 4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid

4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid (PubChem CID 116938298) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid
PubChem CID116938298
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid
SMILESCCOc1ccc(C(N)C(C)(C)CC(=O)O)cc1C
InChIInChI=1S/C15H23NO3/c1-5-19-12-7-6-11(8-10(12)2)14(16)15(3,4)9-13(17)18/h6-8,14H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyXQLWDJDPLCQKOE-UHFFFAOYSA-N
XLogP2.89
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-(4-fluoro-3-methylphenyl)-3,3-dimethylbutanoic acid
CID 116938269
1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
CID 116859676
ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate
CID 116947153
3-(4-ethoxy-3-methylphenyl)butanoic acid
CID 82286931
2,4-diamino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 116942673
2-[amino-(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanoic acid
CID 116945196
3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid
CID 112514958
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
2-chloro-2-(4-ethoxy-3-methylphenyl)acetic acid
CID 82288310
4-amino-4-(5-bromo-2-methylphenyl)-3,3-dimethylbutanoic acid
CID 116938329
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
4-(4-ethoxy-3-methylanilino)-3,3-dimethylbutanoic acid
CID 115220199

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid?
The IUPAC name of 4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid (CID 116938298) is 4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid?
The canonical SMILES for 4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid is CCOc1ccc(C(N)C(C)(C)CC(=O)O)cc1C.
What is the InChIKey of 4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid?
The InChIKey is XQLWDJDPLCQKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-19-12-7-6-11(8-10(12)2)14(16)15(3,4)9-13(17)18/h6-8,14H,5,9,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid?
4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 116938298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).