2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid

C15H27NO3 — CID 43529702

IUPAC2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NC1CCC(C)CC1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-4-15(5-2,14(18)19)10-13(17)16-12-8-6-11(3)7-9-12/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyLNGIZQJILZZFEP-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.96
Rot. Bonds6

About 2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid

2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid (PubChem CID 43529702) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid
PubChem CID43529702
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NC1CCC(C)CC1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-4-15(5-2,14(18)19)10-13(17)16-12-8-6-11(3)7-9-12/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyLNGIZQJILZZFEP-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid
CID 43529328
4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 60941523
4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid
CID 79377280
2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid
CID 64921913
2,2-diethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-4-oxobutanoic acid
CID 65116591
4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 61403433
2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid
CID 65300395
N,N'-dicyclopropyl-3,3-dimethylpentanediamide
CID 59002749
2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid
CID 122128807
2-(methylamino)-N-(4-methylcyclohexyl)acetamide
CID 24706829
3-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 90305092
2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
CID 115431044

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid (CID 43529702) is 2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid is CCC(CC)(CC(=O)NC1CCC(C)CC1)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid?
The InChIKey is LNGIZQJILZZFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-15(5-2,14(18)19)10-13(17)16-12-8-6-11(3)7-9-12/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid?
2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 43529702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).