(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate

C14H23NO5 — CID 129142210

IUPAC(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate
SMILESCC(C)(C)OCCC(C)(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H23NO5/c1-13(2,3)19-9-8-14(4,5)12(18)20-15-10(16)6-7-11(15)17/h6-9H2,1-5H3
InChIKeyPYEBBZGHRYYAPS-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.83
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate

(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate (PubChem CID 129142210) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate
PubChem CID129142210
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate
SMILESCC(C)(C)OCCC(C)(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H23NO5/c1-13(2,3)19-9-8-14(4,5)12(18)20-15-10(16)6-7-11(15)17/h6-9H2,1-5H3
InChIKeyPYEBBZGHRYYAPS-UHFFFAOYSA-N
XLogP1.83
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyacetate
CID 88903484
(2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate
CID 129106442
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate
CID 177151692
(2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate
CID 134213114
1-O-(2,5-dioxopyrrolidin-1-yl) 7-O-[3-[3-[7-(2,5-dioxopyrrolidin-1-yl)oxy-4,4,6,6-tetramethyl-7-oxoheptanoyl]oxy-3-methylbutoxy]-3-methylbutyl] 2,2,4,4-tetramethylheptanedioate
CID 138640769
(2,5-dioxopyrrolidin-1-yl) 2-methyl-2-undecyltridecanoate
CID 141487182
(2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate
CID 177234164
(2,5-dioxopyrrolidin-1-yl) 4-[4-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]oxy-2-methylbutan-2-yl]oxy-2,2-dimethylbutanoate
CID 166844335
(2,5-dioxopyrrolidin-1-yl) 3-(3-acetylsulfanyl-3-methylbutoxy)-3-methylbutanoate
CID 142096577
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-methyl-4-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propanoylamino]butan-2-yl]oxybutanoate
CID 134221525
(2,5-dioxopyrrolidin-1-yl) 5-[ethyl(methyl)amino]-2,2,4,4-tetramethylpentanoate
CID 155214486

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate (CID 129142210) is (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate is CC(C)(C)OCCC(C)(C)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate?
The InChIKey is PYEBBZGHRYYAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-13(2,3)19-9-8-14(4,5)12(18)20-15-10(16)6-7-11(15)17/h6-9H2,1-5H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate?
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate has a molecular weight of 285.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate is sourced from PubChem (CID 129142210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).