1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid

C16H25NO4 — CID 61291676

IUPAC1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
SMILESCCC1(CC)CC(=O)N(C2(C(=O)O)CCCC(C)C2)C1=O
InChIInChI=1S/C16H25NO4/c1-4-15(5-2)10-12(18)17(13(15)19)16(14(20)21)8-6-7-11(3)9-16/h11H,4-10H2,1-3H3,(H,20,21)
InChIKeyGTPVQQVIOBEAJF-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.59
Rot. Bonds4

About 1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid

1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid (PubChem CID 61291676) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
PubChem CID61291676
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
SMILESCCC1(CC)CC(=O)N(C2(C(=O)O)CCCC(C)C2)C1=O
InChIInChI=1S/C16H25NO4/c1-4-15(5-2)10-12(18)17(13(15)19)16(14(20)21)8-6-7-11(3)9-16/h11H,4-10H2,1-3H3,(H,20,21)
InChIKeyGTPVQQVIOBEAJF-UHFFFAOYSA-N
XLogP2.59
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-4-methylcyclohexane-1-carbothioamide
CID 61124712
3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 61292826
3-methyl-1-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 61002837
3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione
CID 55082024
1-(2,5-dioxopyrrolidin-1-yl)-4-methylcyclohexane-1-carboxylic acid
CID 61291058
1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid
CID 79695262
3-methyl-1-(1,2,4-triazol-4-yl)cyclohexane-1-carboxylic acid
CID 62267893
3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 43803240
1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
CID 114994922
1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid
CID 61290643
1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylcyclohexane-1-carboxylic acid
CID 114990462
4-ethyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 62933457

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid (CID 61291676) is 1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid is CCC1(CC)CC(=O)N(C2(C(=O)O)CCCC(C)C2)C1=O.
What is the InChIKey of 1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is GTPVQQVIOBEAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-4-15(5-2)10-12(18)17(13(15)19)16(14(20)21)8-6-7-11(3)9-16/h11H,4-10H2,1-3H3,(H,20,21).
What are the key properties of 1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid?
1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61291676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).