2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid

C16H29NO3 — CID 64921913

IUPAC2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid
SMILESCCC1CCC(NC(=O)CC(CC)(CC)C(=O)O)C1C
InChIInChI=1S/C16H29NO3/c1-5-12-8-9-13(11(12)4)17-14(18)10-16(6-2,7-3)15(19)20/h11-13H,5-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyOEJWFFHHAQBRPW-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.21
Rot. Bonds7

About 2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid

2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid (PubChem CID 64921913) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid
PubChem CID64921913
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid
SMILESCCC1CCC(NC(=O)CC(CC)(CC)C(=O)O)C1C
InChIInChI=1S/C16H29NO3/c1-5-12-8-9-13(11(12)4)17-14(18)10-16(6-2,7-3)15(19)20/h11-13H,5-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyOEJWFFHHAQBRPW-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

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Related Compounds

4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 61403433
4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid
CID 43529328
2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid
CID 43529702
N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide
CID 64914468
N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide
CID 107941727
N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide
CID 64922160
3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea
CID 116656385
N-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide
CID 114038212
N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinyl-2-oxoacetamide
CID 64917052
N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide
CID 103515760
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64915825
2-(4-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)acetamide
CID 64922495

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid (CID 64921913) is 2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid is CCC1CCC(NC(=O)CC(CC)(CC)C(=O)O)C1C.
What is the InChIKey of 2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid?
The InChIKey is OEJWFFHHAQBRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-5-12-8-9-13(11(12)4)17-14(18)10-16(6-2,7-3)15(19)20/h11-13H,5-10H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid?
2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 64921913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).