(2,5-dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoyl]amino]-2-methylpentanoate

C20H27N3O7 — CID 134467159

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoyl]amino]-2-methylpentanoate
SMILESCC(CC(C)C(=O)ON1C(=O)CCC1=O)NC(=O)C(C)CC(C)N1C(=O)C=CC1=O
InChIInChI=1S/C20H27N3O7/c1-11(10-14(4)22-15(24)5-6-16(22)25)19(28)21-13(3)9-12(2)20(29)30-23-17(26)7-8-18(23)27/h5-6,11-14H,7-10H2,1-4H3,(H,21,28)
InChIKeyVBTMSUUOMCCYBG-UHFFFAOYSA-N
MW421.45 g/mol
LogP0.46
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoyl]amino]-2-methylpentanoate

(2,5-dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoyl]amino]-2-methylpentanoate (PubChem CID 134467159) has the molecular formula C20H27N3O7 and a molecular weight of 421.45 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoyl]amino]-2-methylpentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoyl]amino]-2-methylpentanoate
PubChem CID134467159
Molecular FormulaC20H27N3O7
Molecular Weight421.45 g/mol
Exact Mass421.18
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoyl]amino]-2-methylpentanoate
SMILESCC(CC(C)C(=O)ON1C(=O)CCC1=O)NC(=O)C(C)CC(C)N1C(=O)C=CC1=O
InChIInChI=1S/C20H27N3O7/c1-11(10-14(4)22-15(24)5-6-16(22)25)19(28)21-13(3)9-12(2)20(29)30-23-17(26)7-8-18(23)27/h5-6,11-14H,7-10H2,1-4H3,(H,21,28)
InChIKeyVBTMSUUOMCCYBG-UHFFFAOYSA-N
XLogP0.46
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 50.46
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)-2-methylpentanoyl]amino]-2-methylpentanoate with MolForge

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

Launch Full Analysis

Related Compounds

(2,5-Dioxopyrrolidin-1-yl) 4-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-3,3-dimethylbutanoate
CID 162574474
(2,5-Dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
CID 23082419
6-[N-(6-Maleimidocaproyl)]caproic acid nhs
CID 56650501
(3-Ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 59649134
(2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate
CID 87255867
(3-Methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
CID 88533863
(2,5-Dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrol-1-yl)hexylamino]hexanoate
CID 90047445
(2,5-Dioxopyrrolidin-1-yl) 3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2-methylbutanoate
CID 130251799
(2,5-Dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,2-dimethylpentanoate
CID 130361522
(2,5-Dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethylpentanoyl]amino]-2-methylpentanoate
CID 132028316
(2,5-Dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate
CID 134355892
(2,5-Dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2-methylpentanoate
CID 134437219

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoyl]amino]-2-methylpentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoyl]amino]-2-methylpentanoate (CID 134467159) is (2,5-dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoyl]amino]-2-methylpentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoyl]amino]-2-methylpentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoyl]amino]-2-methylpentanoate is CC(CC(C)C(=O)ON1C(=O)CCC1=O)NC(=O)C(C)CC(C)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoyl]amino]-2-methylpentanoate?
The InChIKey is VBTMSUUOMCCYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O7/c1-11(10-14(4)22-15(24)5-6-16(22)25)19(28)21-13(3)9-12(2)20(29)30-23-17(26)7-8-18(23)27/h5-6,11-14H,7-10H2,1-4H3,(H,21,28).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoyl]amino]-2-methylpentanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoyl]amino]-2-methylpentanoate has a molecular weight of 421.45 g/mol, XLogP of 0.46, 9 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)-2-methylpentanoyl]amino]-2-methylpentanoate is sourced from PubChem (CID 134467159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).