2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid

C15H23NO3 — CID 115128091

IUPAC2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid
SMILESCOc1ccc(CCNC(C)(C)C(=O)O)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-10-11(2)13(19-5)7-6-12(10)8-9-16-15(3,4)14(17)18/h6-7,16H,8-9H2,1-5H3,(H,17,18)
InChIKeyBSACFLYPSYGAHD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.31
Rot. Bonds6

About 2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid

2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid (PubChem CID 115128091) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid
PubChem CID115128091
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid
SMILESCOc1ccc(CCNC(C)(C)C(=O)O)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-10-11(2)13(19-5)7-6-12(10)8-9-16-15(3,4)14(17)18/h6-7,16H,8-9H2,1-5H3,(H,17,18)
InChIKeyBSACFLYPSYGAHD-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
CID 94687146
1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol
CID 98016298
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol
CID 82473076
4-hydroxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
CID 115163104
tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate
CID 142979716
2-(2,4-dimethoxy-3-methylanilino)-2-methylpropanoic acid
CID 115127771
3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
CID 115154347
2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]ethanethiol
CID 115224240
2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid
CID 115128075
4-(4-methoxy-2,3-dimethylanilino)-2,2-dimethylbutanoic acid
CID 115221019
2-[(4-methoxy-2,3-dimethylphenyl)methyl]propanedioic acid
CID 170895399

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid (CID 115128091) is 2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid is COc1ccc(CCNC(C)(C)C(=O)O)c(C)c1C.
What is the InChIKey of 2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid?
The InChIKey is BSACFLYPSYGAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-11(2)13(19-5)7-6-12(10)8-9-16-15(3,4)14(17)18/h6-7,16H,8-9H2,1-5H3,(H,17,18).
What are the key properties of 2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid?
2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 115128091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).