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

C15H27NO3 — CID 115165295

IUPAC4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCN(CCC1CCCCC1)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C15H27NO3/c1-15(2,14(18)19)11-13(17)16(3)10-9-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyPSYGJMLLFPVORH-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.92
Rot. Bonds6

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

4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 115165295) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID115165295
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCN(CCC1CCCCC1)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C15H27NO3/c1-15(2,14(18)19)11-13(17)16(3)10-9-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyPSYGJMLLFPVORH-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300106
4-amino-N-(2-cyclohexylethyl)-N,4-dimethylpentanamide
CID 115157638
N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide
CID 115163166
3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 115164079
N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide
CID 115167537
3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide
CID 115162722
4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299719
2-cyano-N-(2-cyclopentylethyl)-N-methylacetamide
CID 115173391
5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid
CID 67699840
N-(2-cyclohexylethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165847
2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
CID 65300009
1-(2-cyclopentylethyl)-1,3-dimethylurea
CID 115169542

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 115165295) is 4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid is CN(CCC1CCCCC1)C(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is PSYGJMLLFPVORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(2,14(18)19)11-13(17)16(3)10-9-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 115165295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).