2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid

C14H19NO2 — CID 10059881

IUPAC2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid
SMILESC=C(C)CNc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H19NO2/c1-10(2)9-15-12-7-5-11(6-8-12)14(3,4)13(16)17/h5-8,15H,1,9H2,2-4H3,(H,16,17)
InChIKeyZWFTWAPGNSFLDS-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.04
Rot. Bonds5

About 2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid

2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid (PubChem CID 10059881) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid
PubChem CID10059881
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid
SMILESC=C(C)CNc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H19NO2/c1-10(2)9-15-12-7-5-11(6-8-12)14(3,4)13(16)17/h5-8,15H,1,9H2,2-4H3,(H,16,17)
InChIKeyZWFTWAPGNSFLDS-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylprop-2-enyl)aniline;hydrochloride
CID 86147547
2-methyl-N-(2-methylprop-2-enyl)-2-phenylpropanamide
CID 114618287
2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid
CID 80549262
2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253886
magnesium;hydride;2-methyl-2-phenylpropanoic acid
CID 174669783
1-[4-(2-oxopropylamino)anilino]propan-2-one
CID 141317857
5-(2-methylprop-2-enylamino)-2-(trifluoromethyl)benzoic acid
CID 114619119
2-fluoro-4-(2-methylprop-2-enylamino)benzoic acid
CID 114619128
2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
CID 80554758
2-methyl-2-[4-(pentanoylamino)phenyl]propanoic acid
CID 80554792
2-methyl-2-[4-[3-(methylamino)propanoylamino]phenyl]propanoic acid
CID 80554677
2-[4-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]phenyl]-2-methylpropanoic acid
CID 119254104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid (CID 10059881) is 2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid is C=C(C)CNc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid?
The InChIKey is ZWFTWAPGNSFLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)9-15-12-7-5-11(6-8-12)14(3,4)13(16)17/h5-8,15H,1,9H2,2-4H3,(H,16,17).
What are the key properties of 2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid?
2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid is sourced from PubChem (CID 10059881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).