4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

C16H29NO3 — CID 79861192

IUPAC4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C)(CC(=O)NC1CCCCC1(C)C)C(=O)O
InChIInChI=1S/C16H29NO3/c1-11(2)16(5,14(19)20)10-13(18)17-12-8-6-7-9-15(12,3)4/h11-12H,6-10H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyHSPPAICSXYPCNA-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.21
Rot. Bonds5

About 4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 79861192) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID79861192
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C)(CC(=O)NC1CCCCC1(C)C)C(=O)O
InChIInChI=1S/C16H29NO3/c1-11(2)16(5,14(19)20)10-13(18)17-12-8-6-7-9-15(12,3)4/h11-12H,6-10H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyHSPPAICSXYPCNA-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid with MolForge

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Related Compounds

2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid
CID 79358771
4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 107214845
N-(2,2-dimethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605525
4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride
CID 120562889
3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
CID 79873237
4-[(1,1-dioxothian-3-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 63923304
3-chloro-N-(2,2-dimethylcyclohexyl)propanamide
CID 79870321
1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79856385
4-[[(1R)-1-cycloheptylethyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 81391001
4-[[(1S)-1-cyclohexylethyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 81387719
4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 79877770
2-(cyclopropylmethylamino)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79878630

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (CID 79861192) is 4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is CC(C)C(C)(CC(=O)NC1CCCCC1(C)C)C(=O)O.
What is the InChIKey of 4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is HSPPAICSXYPCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-11(2)16(5,14(19)20)10-13(18)17-12-8-6-7-9-15(12,3)4/h11-12H,6-10H2,1-5H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 79861192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).