(2,5-dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate

C23H34N4O7 — CID 166942001

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate
SMILESCC(C)(CC(C)(C)C(=O)ON1C(=O)CCC1=O)NC(=O)C(C)(C)CC(C)(N)N1C(=O)C=CC1=O
InChIInChI=1S/C23H34N4O7/c1-20(2,13-23(7,24)26-14(28)8-9-15(26)29)18(32)25-22(5,6)12-21(3,4)19(33)34-27-16(30)10-11-17(27)31/h8-9H,10-13,24H2,1-7H3,(H,25,32)
InChIKeyUYAQPRLZBNHOGJ-UHFFFAOYSA-N
MW478.55 g/mol
LogP0.92
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate

(2,5-dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate (PubChem CID 166942001) has the molecular formula C23H34N4O7 and a molecular weight of 478.55 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate
PubChem CID166942001
Molecular FormulaC23H34N4O7
Molecular Weight478.55 g/mol
Exact Mass478.24
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate
SMILESCC(C)(CC(C)(C)C(=O)ON1C(=O)CCC1=O)NC(=O)C(C)(C)CC(C)(N)N1C(=O)C=CC1=O
InChIInChI=1S/C23H34N4O7/c1-20(2,13-23(7,24)26-14(28)8-9-15(26)29)18(32)25-22(5,6)12-21(3,4)19(33)34-27-16(30)10-11-17(27)31/h8-9H,10-13,24H2,1-7H3,(H,25,32)
InChIKeyUYAQPRLZBNHOGJ-UHFFFAOYSA-N
XLogP0.92
TPSA156.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate (CID 166942001) is (2,5-dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate is CC(C)(CC(C)(C)C(=O)ON1C(=O)CCC1=O)NC(=O)C(C)(C)CC(C)(N)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate?
The InChIKey is UYAQPRLZBNHOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O7/c1-20(2,13-23(7,24)26-14(28)8-9-15(26)29)18(32)25-22(5,6)12-21(3,4)19(33)34-27-16(30)10-11-17(27)31/h8-9H,10-13,24H2,1-7H3,(H,25,32).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate has a molecular weight of 478.55 g/mol, XLogP of 0.92, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate is sourced from PubChem (CID 166942001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).