2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid

C14H20N2O3 — CID 62822506

IUPAC2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid
SMILESCc1ccc(NC(=O)CN(C)C(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-10-5-7-11(8-6-10)15-12(17)9-16(4)14(2,3)13(18)19/h5-8H,9H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyMLXVZQBKKYKTAV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.73
Rot. Bonds5

About 2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid

2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid (PubChem CID 62822506) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid
PubChem CID62822506
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid
SMILESCc1ccc(NC(=O)CN(C)C(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-10-5-7-11(8-6-10)15-12(17)9-16(4)14(2,3)13(18)19/h5-8H,9H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyMLXVZQBKKYKTAV-UHFFFAOYSA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62822509
2-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62822305
2-[acetyl(tert-butyl)amino]-N-(4-methylphenyl)acetamide
CID 113166147
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821107
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 47075327
4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 40728961
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 107425853

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid (CID 62822506) is 2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid is Cc1ccc(NC(=O)CN(C)C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is MLXVZQBKKYKTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-7-11(8-6-10)15-12(17)9-16(4)14(2,3)13(18)19/h5-8H,9H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid?
2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 62822506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).