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

C15H23NO2 — CID 115128131

IUPAC2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid
SMILESCc1ccc(C)c(CCN(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C15H23NO2/c1-11-6-7-12(2)13(10-11)8-9-16(5)15(3,4)14(17)18/h6-7,10H,8-9H2,1-5H3,(H,17,18)
InChIKeySOMVEVUBFDNCIH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.64
Rot. Bonds5

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

2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid (PubChem CID 115128131) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid
PubChem CID115128131
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid
SMILESCc1ccc(C)c(CCN(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C15H23NO2/c1-11-6-7-12(2)13(10-11)8-9-16(5)15(3,4)14(17)18/h6-7,10H,8-9H2,1-5H3,(H,17,18)
InChIKeySOMVEVUBFDNCIH-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115132235
2-[(2-hydroxy-5-methylphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65061038
2-N-[2-(2,5-dimethylphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132993
2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide
CID 82127686
2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128165
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128462
N-[2-(2,5-dimethylphenyl)ethyl]-N-methyl-3-sulfanylpropanamide
CID 115168067
4-[2-(2,5-dimethylphenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 115220114
1-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243120
3-amino-4-[2-(2,5-dimethylphenyl)ethyl-methylamino]butanoic acid
CID 115241861
2-[4-(2,5-dimethylphenyl)butanoyl-methylamino]acetic acid
CID 98017340
1-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190000

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid (CID 115128131) is 2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid is Cc1ccc(C)c(CCN(C)C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid?
The InChIKey is SOMVEVUBFDNCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-6-7-12(2)13(10-11)8-9-16(5)15(3,4)14(17)18/h6-7,10H,8-9H2,1-5H3,(H,17,18).
What are the key properties of 2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid?
2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 115128131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).