(2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate

C23H31N3O7 — CID 166942002

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate
SMILESCC(CC(C)(C)NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C23H31N3O7/c1-14(22(32)33-26-19(29)10-11-20(26)30)12-23(2,3)24-21(31)16-6-4-15(5-7-16)13-25-17(27)8-9-18(25)28/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,24,31)
InChIKeyAZIXUGRVAASDFB-UHFFFAOYSA-N
MW461.52 g/mol
LogP1.25
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate

(2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate (PubChem CID 166942002) has the molecular formula C23H31N3O7 and a molecular weight of 461.52 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate
PubChem CID166942002
Molecular FormulaC23H31N3O7
Molecular Weight461.52 g/mol
Exact Mass461.22
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate
SMILESCC(CC(C)(C)NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C23H31N3O7/c1-14(22(32)33-26-19(29)10-11-20(26)30)12-23(2,3)24-21(31)16-6-4-15(5-7-16)13-25-17(27)8-9-18(25)28/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,24,31)
InChIKeyAZIXUGRVAASDFB-UHFFFAOYSA-N
XLogP1.25
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate 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 (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate (CID 166942002) is (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate is CC(CC(C)(C)NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate?
The InChIKey is AZIXUGRVAASDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O7/c1-14(22(32)33-26-19(29)10-11-20(26)30)12-23(2,3)24-21(31)16-6-4-15(5-7-16)13-25-17(27)8-9-18(25)28/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,24,31).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate has a molecular weight of 461.52 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,4-dimethylpentanoate is sourced from PubChem (CID 166942002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).