3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid

C13H16F3NO3 — CID 60997285

IUPAC3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid
SMILESCOc1ccccc1CC(C)(NCC(F)(F)F)C(=O)O
InChIInChI=1S/C13H16F3NO3/c1-12(11(18)19,17-8-13(14,15)16)7-9-5-3-4-6-10(9)20-2/h3-6,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyHGJHDOAVCHACPP-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.23
Rot. Bonds6

About 3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid

3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid (PubChem CID 60997285) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid
PubChem CID60997285
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid
SMILESCOc1ccccc1CC(C)(NCC(F)(F)F)C(=O)O
InChIInChI=1S/C13H16F3NO3/c1-12(11(18)19,17-8-13(14,15)16)7-9-5-3-4-6-10(9)20-2/h3-6,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyHGJHDOAVCHACPP-UHFFFAOYSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 60929115
3-(2-methoxyphenyl)-2-methyl-2-(prop-2-ynylamino)propanoic acid
CID 61341210
2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid
CID 63688568
2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid
CID 60929248
3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]-2-methylpropanoic acid
CID 79790952
2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid
CID 164851883
2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
CID 94687146
3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid
CID 65233656
3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700989
3-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-methylpropanoic acid
CID 114832173
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid?
The IUPAC name of 3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid (CID 60997285) is 3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid?
The canonical SMILES for 3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid is COc1ccccc1CC(C)(NCC(F)(F)F)C(=O)O.
What is the InChIKey of 3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid?
The InChIKey is HGJHDOAVCHACPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-12(11(18)19,17-8-13(14,15)16)7-9-5-3-4-6-10(9)20-2/h3-6,17H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid?
3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid has a molecular weight of 291.27 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid is sourced from PubChem (CID 60997285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).