2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid

C15H23NO3 — CID 115127967

IUPAC2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid
SMILESCOc1c(C)cc(CNC(C)(C)C(=O)O)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-9-7-12(8-16-15(4,5)14(17)18)10(2)11(3)13(9)19-6/h7,16H,8H2,1-6H3,(H,17,18)
InChIKeyFROXOVXGRSPZPA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.57
Rot. Bonds5

About 2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid

2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid (PubChem CID 115127967) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid
PubChem CID115127967
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid
SMILESCOc1c(C)cc(CNC(C)(C)C(=O)O)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-9-7-12(8-16-15(4,5)14(17)18)10(2)11(3)13(9)19-6/h7,16H,8H2,1-6H3,(H,17,18)
InChIKeyFROXOVXGRSPZPA-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic 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

(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
CID 115170855
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 110782878
3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol
CID 115134064
2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid
CID 115127969
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide
CID 115175643
2-(4-methoxy-2,3,5-trimethylanilino)-2-methylpropanoic acid
CID 115127764
4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid
CID 116926839
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 115173093
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid
CID 82291650
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158865
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid
CID 115171275

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid (CID 115127967) is 2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid is COc1c(C)cc(CNC(C)(C)C(=O)O)c(C)c1C.
What is the InChIKey of 2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid?
The InChIKey is FROXOVXGRSPZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9-7-12(8-16-15(4,5)14(17)18)10(2)11(3)13(9)19-6/h7,16H,8H2,1-6H3,(H,17,18).
What are the key properties of 2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid?
2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 115127967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).