3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid

C15H21NO3 — CID 120687906

IUPAC3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCc1cccc(C)c1CC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-10-6-5-7-11(2)12(10)8-13(17)16-9-15(3,4)14(18)19/h5-7H,8-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyTVXOGAQJKPEIFF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.07
Rot. Bonds5

About 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid

3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 120687906) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
PubChem CID120687906
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCc1cccc(C)c1CC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-10-6-5-7-11(2)12(10)8-13(17)16-9-15(3,4)14(18)19/h5-7H,8-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyTVXOGAQJKPEIFF-UHFFFAOYSA-N
XLogP2.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid
CID 120686276
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81369144
2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
CID 119249860
N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 65109576
2,2-dimethyl-3-[(2-methyl-6-nitrobenzoyl)amino]propanoic acid
CID 115427328
3-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119250279
3-hydroxy-3-methyl-4-[[2-(2-methylphenyl)acetyl]amino]butanoic acid
CID 66002915
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249342
4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003499
N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 66168615
2,2-dimethyl-3-(4-phenylbutanoylamino)propanoic acid
CID 81370076
3-bromo-1-(2,6-dimethylphenyl)-3-methylbutan-2-one
CID 157470382

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid (CID 120687906) is 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid is Cc1cccc(C)c1CC(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is TVXOGAQJKPEIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-6-5-7-11(2)12(10)8-13(17)16-9-15(3,4)14(18)19/h5-7H,8-9H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid?
3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 120687906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).