(2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate

C12H19NO4 — CID 129106442

IUPAC(2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate
SMILESCC(C)CC(C)(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H19NO4/c1-8(2)7-12(3,4)11(16)17-13-9(14)5-6-10(13)15/h8H,5-7H2,1-4H3
InChIKeyNHOKJAOJIUTPGI-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.67
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate

(2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate (PubChem CID 129106442) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate
PubChem CID129106442
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate
SMILESCC(C)CC(C)(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H19NO4/c1-8(2)7-12(3,4)11(16)17-13-9(14)5-6-10(13)15/h8H,5-7H2,1-4H3
InChIKeyNHOKJAOJIUTPGI-UHFFFAOYSA-N
XLogP1.67
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylhexanoate
CID 134576769
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate
CID 129142210
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-4-(prop-2-ynylamino)butanoate
CID 59498648
(2,5-dioxopyrrolidin-1-yl) 5-[ethyl(methyl)amino]-2,2,4,4-tetramethylpentanoate
CID 155214486
1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate
CID 159060589
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288
(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate
CID 10867564
(2,5-dioxopyrrolidin-1-yl) 2-methyl-2-undecyltridecanoate
CID 141487182
4-O-benzyl 1-O-(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylbutanedioate
CID 167685003
(2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate
CID 139347516
(2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate
CID 134213114
1-O-tert-butyl 5-O-(2,5-dioxopyrrolidin-1-yl) 2-methylpentanedioate
CID 166007558

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate (CID 129106442) is (2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate is CC(C)CC(C)(C)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate?
The InChIKey is NHOKJAOJIUTPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8(2)7-12(3,4)11(16)17-13-9(14)5-6-10(13)15/h8H,5-7H2,1-4H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate?
(2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate has a molecular weight of 241.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate is sourced from PubChem (CID 129106442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).