2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid

C15H22N2O3 — CID 62820404

IUPAC2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCc1cccc(NC(=O)CN(C)C(C)(C)C(=O)O)c1C
InChIInChI=1S/C15H22N2O3/c1-10-7-6-8-12(11(10)2)16-13(18)9-17(5)15(3,4)14(19)20/h6-8H,9H2,1-5H3,(H,16,18)(H,19,20)
InChIKeyKDSHVFPCVUSFRK-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.04
Rot. Bonds5

About 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid (PubChem CID 62820404) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
PubChem CID62820404
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCc1cccc(NC(=O)CN(C)C(C)(C)C(=O)O)c1C
InChIInChI=1S/C15H22N2O3/c1-10-7-6-8-12(11(10)2)16-13(18)9-17(5)15(3,4)14(19)20/h6-8H,9H2,1-5H3,(H,16,18)(H,19,20)
InChIKeyKDSHVFPCVUSFRK-UHFFFAOYSA-N
XLogP2.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62821189
N-(2,3-dimethylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide
CID 115637950
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821107
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 79651972
2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 62822506
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35329527
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
CID 108951456
2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820409
N-(2,3-dimethylphenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9287446

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid (CID 62820404) is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid is Cc1cccc(NC(=O)CN(C)C(C)(C)C(=O)O)c1C.
What is the InChIKey of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is KDSHVFPCVUSFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-7-6-8-12(11(10)2)16-13(18)9-17(5)15(3,4)14(19)20/h6-8H,9H2,1-5H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62820404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).