3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid

C16H23NO3 — CID 62827542

IUPAC3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H23NO3/c1-6-17(9-13(5)16(19)20)15(18)14-11(3)7-10(2)8-12(14)4/h7-8,13H,6,9H2,1-5H3,(H,19,20)
InChIKeyOTDCLEPSZUUUAW-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.79
Rot. Bonds5

About 3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid

3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid (PubChem CID 62827542) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid
PubChem CID62827542
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H23NO3/c1-6-17(9-13(5)16(19)20)15(18)14-11(3)7-10(2)8-12(14)4/h7-8,13H,6,9H2,1-5H3,(H,19,20)
InChIKeyOTDCLEPSZUUUAW-UHFFFAOYSA-N
XLogP2.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853366
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
3-[ethyl-[(3-fluoro-5-methylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 79050237
3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 62826868
3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 106752591
3-[ethyl-(5-methyl-2-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 65461817
3-[ethyl-(2-methyl-5-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 62827918
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62826642
3-(N-butyl-2,4,6-trimethylanilino)-2-methylpropanoic acid
CID 82318042
3-[(5-bromo-2-hydroxybenzoyl)-ethylamino]-2-methylpropanoic acid
CID 107729348
3-[(4-bromo-2,6-dimethylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62853547

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid (CID 62827542) is 3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is OTDCLEPSZUUUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-6-17(9-13(5)16(19)20)15(18)14-11(3)7-10(2)8-12(14)4/h7-8,13H,6,9H2,1-5H3,(H,19,20).
What are the key properties of 3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid?
3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62827542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).