2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid

C15H20N2O4 — CID 65301302

IUPAC2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCc1ccccc1N(C)C(=O)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10-7-5-6-8-11(10)17(4)14(21)16-12(18)9-15(2,3)13(19)20/h5-8H,9H2,1-4H3,(H,19,20)(H,16,18,21)
InChIKeyUJLWLYMEFWEYSF-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.17
Rot. Bonds4

About 2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid

2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid (PubChem CID 65301302) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid
PubChem CID65301302
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCc1ccccc1N(C)C(=O)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10-7-5-6-8-11(10)17(4)14(21)16-12(18)9-15(2,3)13(19)20/h5-8H,9H2,1-4H3,(H,19,20)(H,16,18,21)
InChIKeyUJLWLYMEFWEYSF-UHFFFAOYSA-N
XLogP2.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-methyl-1-(2-methylphenyl)urea
CID 116655388
4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300227
3-(N,2-dimethylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821859
4-[(2,5-dimethylpyrrol-1-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 79090946
(2S)-4-amino-2-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717563
2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 65300331
3-butyl-1-methyl-1-(2-methylphenyl)urea
CID 116655391
3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid
CID 106759821
(2S)-4-methyl-2-[[methyl-(2-methylphenyl)carbamoyl]amino]pentanoic acid
CID 78979220
2,2-dimethyl-4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 65301601
hexane;methyl-(2-methylphenyl)carbamic acid
CID 174980979
2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 63644818

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid (CID 65301302) is 2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid is Cc1ccccc1N(C)C(=O)NC(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is UJLWLYMEFWEYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-7-5-6-8-11(10)17(4)14(21)16-12(18)9-15(2,3)13(19)20/h5-8H,9H2,1-4H3,(H,19,20)(H,16,18,21).
What are the key properties of 2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid?
2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 292.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 65301302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).