1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid

C16H18N2O6 — CID 22568639

IUPAC1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESO=C1C=CC(=O)N1CC1CCC(C(=O)O)(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C16H18N2O6/c19-11-1-2-12(20)17(11)9-10-5-7-16(8-6-10,15(23)24)18-13(21)3-4-14(18)22/h1-2,10H,3-9H2,(H,23,24)
InChIKeyMJNWNFXAPAAWLX-UHFFFAOYSA-N
MW334.33 g/mol
LogP0.07
Rot. Bonds4

About 1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid

1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 22568639) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID22568639
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESO=C1C=CC(=O)N1CC1CCC(C(=O)O)(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C16H18N2O6/c19-11-1-2-12(20)17(11)9-10-5-7-16(8-6-10,15(23)24)18-13(21)3-4-14(18)22/h1-2,10H,3-9H2,(H,23,24)
InChIKeyMJNWNFXAPAAWLX-UHFFFAOYSA-N
XLogP0.07
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid (CID 22568639) is 1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid is O=C1C=CC(=O)N1CC1CCC(C(=O)O)(N2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is MJNWNFXAPAAWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6/c19-11-1-2-12(20)17(11)9-10-5-7-16(8-6-10,15(23)24)18-13(21)3-4-14(18)22/h1-2,10H,3-9H2,(H,23,24).
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid?
1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 334.33 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22568639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).