2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid

C15H23NO2 — CID 65060736

IUPAC2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid
SMILESCc1ccc(C)c(C(C)N(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C15H23NO2/c1-10-7-8-11(2)13(9-10)12(3)16(6)15(4,5)14(17)18/h7-9,12H,1-6H3,(H,17,18)
InChIKeyRQGHRODABDZTCB-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.16
Rot. Bonds4

About 2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid

2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid (PubChem CID 65060736) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid
PubChem CID65060736
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid
SMILESCc1ccc(C)c(C(C)N(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C15H23NO2/c1-10-7-8-11(2)13(9-10)12(3)16(6)15(4,5)14(17)18/h7-9,12H,1-6H3,(H,17,18)
InChIKeyRQGHRODABDZTCB-UHFFFAOYSA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[tert-butyl-[1-(2,5-dimethylphenyl)ethyl]amino]propanoic acid
CID 65058278
2-methyl-2-(N,2,4-trimethylanilino)propanoic acid
CID 114988793
2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060788
2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 65196763
2-[dimethylamino-(2,5-dimethylphenyl)methyl]-3-methylbutanoic acid
CID 116913158
2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128131
2-amino-2-(2,5-dimethylphenyl)propanoic acid
CID 24695518
2-(2,5-dimethylphenyl)-2-fluoropropanoic acid
CID 105425199
2-methyl-2-[methyl-[1-(2-nitrophenyl)ethyl]amino]propanoic acid
CID 65060790
2-(aminomethyl)-3-(2,5-dimethylphenyl)butanoic acid
CID 69267265
2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid
CID 65058262
dimethylamino-(2,5-dimethylphenyl)methanol
CID 116909513

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid (CID 65060736) is 2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid is Cc1ccc(C)c(C(C)N(C)C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid?
The InChIKey is RQGHRODABDZTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-7-8-11(2)13(9-10)12(3)16(6)15(4,5)14(17)18/h7-9,12H,1-6H3,(H,17,18).
What are the key properties of 2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid?
2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid has a molecular weight of 249.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 65060736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).