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

C14H26N2O3 — CID 61403433

IUPAC4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NC1CCCCC1N)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-14(4-2,13(18)19)9-12(17)16-11-8-6-5-7-10(11)15/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMHLLQDWOHLIBOP-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.65
Rot. Bonds6

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

4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid (PubChem CID 61403433) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid
PubChem CID61403433
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NC1CCCCC1N)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-14(4-2,13(18)19)9-12(17)16-11-8-6-5-7-10(11)15/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMHLLQDWOHLIBOP-UHFFFAOYSA-N
XLogP1.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclohexyl)propanamide
CID 61036997
N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide
CID 93451955
4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid
CID 43529328
2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid
CID 64921913
N-(2-aminocyclohexyl)-3-methoxy-3-methylbutanamide
CID 103021379
N-(2-aminocyclohexyl)-2-(methylamino)acetamide
CID 130622235
N-(2-aminocycloheptyl)-2,2-dimethylbutanamide
CID 63258190
2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid
CID 43529702
N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide
CID 93452012
N-(2-aminocyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603334
N-(2-aminocyclohexyl)-3-methylpentanamide
CID 114875574
N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid (CID 61403433) is 4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid is CCC(CC)(CC(=O)NC1CCCCC1N)C(=O)O.
What is the InChIKey of 4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The InChIKey is MHLLQDWOHLIBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-14(4-2,13(18)19)9-12(17)16-11-8-6-5-7-10(11)15/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid?
4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid is sourced from PubChem (CID 61403433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).