4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid

C14H21NO4 — CID 55084268

IUPAC4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid
SMILESCOCCNC(C)(CCc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C14H21NO4/c1-14(13(17)18,15-9-10-19-2)8-7-11-3-5-12(16)6-4-11/h3-6,15-16H,7-10H2,1-2H3,(H,17,18)
InChIKeyKKWTZLUZRQERLJ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.40
Rot. Bonds8

About 4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid

4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid (PubChem CID 55084268) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid
PubChem CID55084268
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid
SMILESCOCCNC(C)(CCc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C14H21NO4/c1-14(13(17)18,15-9-10-19-2)8-7-11-3-5-12(16)6-4-11/h3-6,15-16H,7-10H2,1-2H3,(H,17,18)
InChIKeyKKWTZLUZRQERLJ-UHFFFAOYSA-N
XLogP1.40
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 61340673
2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanamide
CID 62541160
2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 62540156
2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid
CID 114990394
(2S)-3-(4-hydroxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 141089524
2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
CID 43619666
2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55070744
2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid
CID 71564959
3-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-methylpropanoic acid
CID 114832173
4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
CID 114998801
4-(4-hydroxyphenyl)-2-methyl-2-(2-methylpropylamino)butanamide
CID 54892341
[(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid
CID 68992190

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid (CID 55084268) is 4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid is COCCNC(C)(CCc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid?
The InChIKey is KKWTZLUZRQERLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(13(17)18,15-9-10-19-2)8-7-11-3-5-12(16)6-4-11/h3-6,15-16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid?
4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid is sourced from PubChem (CID 55084268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).