2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid

C14H19NO3 — CID 55123970

IUPAC2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid
SMILESCc1ccc(CC(=O)N(C)C(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H19NO3/c1-10-5-7-11(8-6-10)9-12(16)15(4)14(2,3)13(17)18/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyXTFMMWPVYQXPIZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.86
Rot. Bonds4

About 2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid

2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid (PubChem CID 55123970) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid
PubChem CID55123970
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid
SMILESCc1ccc(CC(=O)N(C)C(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H19NO3/c1-10-5-7-11(8-6-10)9-12(16)15(4)14(2,3)13(17)18/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyXTFMMWPVYQXPIZ-UHFFFAOYSA-N
XLogP1.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid
CID 62818448
3-methyl-3-[methyl-[2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 110834679
2-methyl-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]propanoic acid
CID 62819150
2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid
CID 62817552
N,N-dimethyl-2-(4-methylphenyl)acetamide
CID 4048798
2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
CID 119200590
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200149
4-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 166815657
2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid
CID 119200050
2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 62818850
2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid
CID 110836158
3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one
CID 103446225

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid (CID 55123970) is 2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid is Cc1ccc(CC(=O)N(C)C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid?
The InChIKey is XTFMMWPVYQXPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-5-7-11(8-6-10)9-12(16)15(4)14(2,3)13(17)18/h5-8H,9H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid?
2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 55123970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).