1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid

C12H18N2O4 — CID 55228613

IUPAC1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCCN1C(=O)CC(N2CC(C)C(C(=O)O)C2)C1=O
InChIInChI=1S/C12H18N2O4/c1-3-14-10(15)4-9(11(14)16)13-5-7(2)8(6-13)12(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyWXQCENRNOVULCO-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.21
Rot. Bonds3

About 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid

1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 55228613) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID55228613
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCCN1C(=O)CC(N2CC(C)C(C(=O)O)C2)C1=O
InChIInChI=1S/C12H18N2O4/c1-3-14-10(15)4-9(11(14)16)13-5-7(2)8(6-13)12(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyWXQCENRNOVULCO-UHFFFAOYSA-N
XLogP-0.21
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.21
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-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721248
(3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1221385
1-[1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311498
2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 1258791
(3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358164
(3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione
CID 7340873
1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 710213
4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid
CID 66247666
1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65065747
(2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid
CID 124510189
2-ethyl-4a,8a-dihydro-4H-isoquinoline-1,3-dione
CID 18345230
1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721763

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid (CID 55228613) is 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid is CCN1C(=O)CC(N2CC(C)C(C(=O)O)C2)C1=O.
What is the InChIKey of 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is WXQCENRNOVULCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-14-10(15)4-9(11(14)16)13-5-7(2)8(6-13)12(17)18/h7-9H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid?
1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55228613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).