2-(4-aminophenyl)-2-methylbutanoic acid

C11H15NO2 — CID 67863083

IUPAC2-(4-aminophenyl)-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)c1ccc(N)cc1
InChIInChI=1S/C11H15NO2/c1-3-11(2,10(13)14)8-4-6-9(12)7-5-8/h4-7H,3,12H2,1-2H3,(H,13,14)
InChIKeySUFDVCVFTSHFJT-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.02
Rot. Bonds3

About 2-(4-aminophenyl)-2-methylbutanoic acid

2-(4-aminophenyl)-2-methylbutanoic acid (PubChem CID 67863083) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methylbutanoic acid
PubChem CID67863083
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(4-aminophenyl)-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)c1ccc(N)cc1
InChIInChI=1S/C11H15NO2/c1-3-11(2,10(13)14)8-4-6-9(12)7-5-8/h4-7H,3,12H2,1-2H3,(H,13,14)
InChIKeySUFDVCVFTSHFJT-UHFFFAOYSA-N
XLogP2.02
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid
CID 117047700
2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid
CID 83830381
4-(2-fluoropropan-2-yl)aniline;2,2,2-trifluoroacetic acid
CID 154727835
3-amino-3-(4-aminophenyl)pentanoic acid
CID 57255399
2-(4-aminophenyl)-2-ethyl-3-hydroxy-4-methylpentanoic acid
CID 67665746
2-[(4-aminobenzoyl)amino]-2-ethylbutanoic acid
CID 142416078
2-methyl-2-(3-methyl-4-nitrophenyl)butanoic acid
CID 67439679
2-(4-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255526
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669
4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid
CID 117049848
2-(4-aminophenyl)sulfanyl-2-ethylbutanoic acid
CID 114994643
2-methyl-2-phenylbutanethioic S-acid
CID 87854025

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methylbutanoic acid?
The IUPAC name of 2-(4-aminophenyl)-2-methylbutanoic acid (CID 67863083) is 2-(4-aminophenyl)-2-methylbutanoic acid.
What is the SMILES notation for 2-(4-aminophenyl)-2-methylbutanoic acid?
The canonical SMILES for 2-(4-aminophenyl)-2-methylbutanoic acid is CCC(C)(C(=O)O)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-methylbutanoic acid?
The InChIKey is SUFDVCVFTSHFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-11(2,10(13)14)8-4-6-9(12)7-5-8/h4-7H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-aminophenyl)-2-methylbutanoic acid?
2-(4-aminophenyl)-2-methylbutanoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methylbutanoic acid is sourced from PubChem (CID 67863083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).