(2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate

C15H19N3O6 — CID 147365375

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate
SMILESCC(C)(CC(C)(N)N1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H19N3O6/c1-14(2,13(23)24-18-11(21)6-7-12(18)22)8-15(3,16)17-9(19)4-5-10(17)20/h4-5H,6-8,16H2,1-3H3
InChIKeyDIBDUQCWGHGHLA-UHFFFAOYSA-N
MW337.33 g/mol
LogP-0.39
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate

(2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate (PubChem CID 147365375) has the molecular formula C15H19N3O6 and a molecular weight of 337.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate
PubChem CID147365375
Molecular FormulaC15H19N3O6
Molecular Weight337.33 g/mol
Exact Mass337.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate
SMILESCC(C)(CC(C)(N)N1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H19N3O6/c1-14(2,13(23)24-18-11(21)6-7-12(18)22)8-15(3,16)17-9(19)4-5-10(17)20/h4-5H,6-8,16H2,1-3H3
InChIKeyDIBDUQCWGHGHLA-UHFFFAOYSA-N
XLogP-0.39
TPSA127.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 5-0.39
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-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate with MolForge

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Related Compounds

(2,5-Dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethylpentanoate
CID 129125940
(2,5-Dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,4-dimethylpentanoate
CID 132027314
(2,5-Dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate
CID 134355891
(2,5-Dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione
CID 143979128
(2,5-Dioxopyrrolidin-1-yl) 3-amino-3-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanoate
CID 146689455
(2,5-Dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate
CID 166942001

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate (CID 147365375) is (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate is CC(C)(CC(C)(N)N1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate?
The InChIKey is DIBDUQCWGHGHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6/c1-14(2,13(23)24-18-11(21)6-7-12(18)22)8-15(3,16)17-9(19)4-5-10(17)20/h4-5H,6-8,16H2,1-3H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate?
(2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate has a molecular weight of 337.33 g/mol, XLogP of -0.39, 5 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-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate is sourced from PubChem (CID 147365375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).