4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid

C14H24N2O4 — CID 79877770

IUPAC4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NC(=O)NC1CCCC1(C)C)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-13(2)7-5-6-9(13)15-12(20)16-10(17)8-14(3,4)11(18)19/h9H,5-8H2,1-4H3,(H,18,19)(H2,15,16,17,20)
InChIKeyIJLFXTUVDVRZDV-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.89
Rot. Bonds4

About 4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid

4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 79877770) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID79877770
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NC(=O)NC1CCCC1(C)C)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-13(2)7-5-6-9(13)15-12(20)16-10(17)8-14(3,4)11(18)19/h9H,5-8H2,1-4H3,(H,18,19)(H2,15,16,17,20)
InChIKeyIJLFXTUVDVRZDV-UHFFFAOYSA-N
XLogP1.89
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65300229
5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 79878603
2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid
CID 79878699
3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid
CID 79870141
3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
CID 79873237
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 79877852
3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
CID 79871536
N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
CID 79872163
4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 79861192
2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474536
N-(2,2-dimethylcyclopentyl)propanamide;ethane
CID 171523007

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid (CID 79877770) is 4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)NC(=O)NC1CCCC1(C)C)C(=O)O.
What is the InChIKey of 4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is IJLFXTUVDVRZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2)7-5-6-9(13)15-12(20)16-10(17)8-14(3,4)11(18)19/h9H,5-8H2,1-4H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid?
4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 79877770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).