1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione

C13H22N2O3 — CID 114118967

IUPAC1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NC2CC(OC)C2(C)C)C1=O
InChIInChI=1S/C13H22N2O3/c1-5-15-11(16)6-8(12(15)17)14-9-7-10(18-4)13(9,2)3/h8-10,14H,5-7H2,1-4H3
InChIKeyFNRCYTKRZPLBOF-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds4

About 1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione

1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione (PubChem CID 114118967) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione
PubChem CID114118967
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NC2CC(OC)C2(C)C)C1=O
InChIInChI=1S/C13H22N2O3/c1-5-15-11(16)6-8(12(15)17)14-9-7-10(18-4)13(9,2)3/h8-10,14H,5-7H2,1-4H3
InChIKeyFNRCYTKRZPLBOF-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(methylamino)pyrrolidine-2,5-dione
CID 43636114
1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione
CID 114095808
1-ethyl-3-[(3-methylcyclopentyl)amino]pyrrolidine-2,5-dione
CID 114545469
1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione
CID 80713003
(3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one
CID 129423806
(3S)-3-[[(1S,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one
CID 129423805
1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione
CID 64656132
1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
CID 43636432
3-[(2-methylcyclopropyl)amino]-1-propylpyrrolidine-2,5-dione
CID 62397716
1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione
CID 62524032
tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate
CID 102672477
3-methoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357970

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione (CID 114118967) is 1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione is CCN1C(=O)CC(NC2CC(OC)C2(C)C)C1=O.
What is the InChIKey of 1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione?
The InChIKey is FNRCYTKRZPLBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-15-11(16)6-8(12(15)17)14-9-7-10(18-4)13(9,2)3/h8-10,14H,5-7H2,1-4H3.
What are the key properties of 1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione?
1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 114118967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).