(2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane

C16H21NO6 — CID 143259221

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane
SMILESCC.CC(COc1ccc(O)cc1)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H15NO6.C2H6/c1-9(8-20-11-4-2-10(16)3-5-11)14(19)21-15-12(17)6-7-13(15)18;1-2/h2-5,9,16H,6-8H2,1H3;1-2H3
InChIKeyUVGHCXXUONTSEF-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.04
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane

(2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane (PubChem CID 143259221) has the molecular formula C16H21NO6 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane
PubChem CID143259221
Molecular FormulaC16H21NO6
Molecular Weight323.35 g/mol
Exact Mass323.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane
SMILESCC.CC(COc1ccc(O)cc1)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H15NO6.C2H6/c1-9(8-20-11-4-2-10(16)3-5-11)14(19)21-15-12(17)6-7-13(15)18;1-2/h2-5,9,16H,6-8H2,1H3;1-2H3
InChIKeyUVGHCXXUONTSEF-UHFFFAOYSA-N
XLogP2.04
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate
CID 11206648
(2,5-dioxopyrrolidin-1-yl) (2S)-3-(4-hydroxyphenyl)-2-(iodoamino)propanoate
CID 22827339
methyl 3-(4-iodophenoxy)-2-methylpropanoate
CID 43538009
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288
(2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane
CID 143085911
azanide;(2,5-dioxopyrrolidin-1-yl) 2,4-dimethyl-5-oxopentanoate;yttrium(3+)
CID 20683205
[(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid
CID 90097336
(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 10518539
4-[(2S)-2-methylbutoxy]phenol
CID 1490310
(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate
CID 122671324
2-chloro-3-methylbutane;(2,5-dioxopyrrolidin-1-yl) 2-methylpropanoate
CID 158531615
(2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate
CID 130454141

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane (CID 143259221) is (2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane is CC.CC(COc1ccc(O)cc1)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane?
The InChIKey is UVGHCXXUONTSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6.C2H6/c1-9(8-20-11-4-2-10(16)3-5-11)14(19)21-15-12(17)6-7-13(15)18;1-2/h2-5,9,16H,6-8H2,1H3;1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane?
(2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane has a molecular weight of 323.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane is sourced from PubChem (CID 143259221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).