2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid

C12H15NO4 — CID 61262622

IUPAC2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-12(2,11(16)17)13-10(15)7-8-3-5-9(14)6-4-8/h3-6,14H,7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyQJZXVZOPKAIGFU-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.91
Rot. Bonds4

About 2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid

2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 61262622) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid
PubChem CID61262622
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-12(2,11(16)17)13-10(15)7-8-3-5-9(14)6-4-8/h3-6,14H,7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyQJZXVZOPKAIGFU-UHFFFAOYSA-N
XLogP0.91
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-ethoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 61261354
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 61261366
2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 55068083
2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid
CID 82224505
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-2-methylpropanoic acid
CID 61261362
3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one
CID 116560214
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid
CID 134589022
3-(4-hydroxyphenyl)-2-sulfanylidenepropanoic acid
CID 51059361
4-(4-hydroxyphenyl)-3-oxobutanoic acid
CID 91396936
2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid
CID 110836972
[(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid
CID 68992190

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid (CID 61262622) is 2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is QJZXVZOPKAIGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-12(2,11(16)17)13-10(15)7-8-3-5-9(14)6-4-8/h3-6,14H,7H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid?
2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 237.25 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 61262622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).