3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid

C15H22N2O3 — CID 115427853

IUPAC3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C(C)(C)c1ccc(N)cc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-14(2,13(19)20)9-17-12(18)15(3,4)10-5-7-11(16)8-6-10/h5-8H,9,16H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyQFOPXICPTQCCQW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.77
Rot. Bonds5

About 3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid

3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 115427853) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
PubChem CID115427853
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C(C)(C)c1ccc(N)cc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-14(2,13(19)20)9-17-12(18)15(3,4)10-5-7-11(16)8-6-10/h5-8H,9,16H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyQFOPXICPTQCCQW-UHFFFAOYSA-N
XLogP1.77
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761269
2-(4-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255526
2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114942256
2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 80555177
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154
2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 107842398
3-[[[2-(4-aminophenyl)-2-methylpropanoyl]amino]methyl]pentanoic acid
CID 81065786
2-(4-aminophenyl)-2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide
CID 80556193
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-methylpropanamide
CID 119625738
2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 80555002
2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide
CID 80556333

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid (CID 115427853) is 3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)C(C)(C)c1ccc(N)cc1)C(=O)O.
What is the InChIKey of 3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is QFOPXICPTQCCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-14(2,13(19)20)9-17-12(18)15(3,4)10-5-7-11(16)8-6-10/h5-8H,9,16H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid?
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115427853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).