(2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol

C23H38N2O10 — CID 144847954

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol
SMILESCC(C)CCCC(=O)ON1C(=O)CCC1=O.CC(C)CCO.O=C(CCO)ON1C(=O)CCC1=O
InChIInChI=1S/C11H17NO4.C7H9NO5.C5H12O/c1-8(2)4-3-5-11(15)16-12-9(13)6-7-10(12)14;9-4-3-7(12)13-8-5(10)1-2-6(8)11;1-5(2)3-4-6/h8H,3-7H2,1-2H3;9H,1-4H2;5-6H,3-4H2,1-2H3
InChIKeyHRIRWUNXEHJIST-UHFFFAOYSA-N
MW502.56 g/mol
LogP1.42
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol

(2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol (PubChem CID 144847954) has the molecular formula C23H38N2O10 and a molecular weight of 502.56 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol
PubChem CID144847954
Molecular FormulaC23H38N2O10
Molecular Weight502.56 g/mol
Exact Mass502.25
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol
SMILESCC(C)CCCC(=O)ON1C(=O)CCC1=O.CC(C)CCO.O=C(CCO)ON1C(=O)CCC1=O
InChIInChI=1S/C11H17NO4.C7H9NO5.C5H12O/c1-8(2)4-3-5-11(15)16-12-9(13)6-7-10(12)14;9-4-3-7(12)13-8-5(10)1-2-6(8)11;1-5(2)3-4-6/h8H,3-7H2,1-2H3;9H,1-4H2;5-6H,3-4H2,1-2H3
InChIKeyHRIRWUNXEHJIST-UHFFFAOYSA-N
XLogP1.42
TPSA167.82 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.56
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium
CID 102579235
(2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate
CID 167615874
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate
CID 58472277
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
CID 178100536
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
CID 174881111
(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162
(2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate
CID 121263313

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol (CID 144847954) is (2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol is CC(C)CCCC(=O)ON1C(=O)CCC1=O.CC(C)CCO.O=C(CCO)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol?
The InChIKey is HRIRWUNXEHJIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4.C7H9NO5.C5H12O/c1-8(2)4-3-5-11(15)16-12-9(13)6-7-10(12)14;9-4-3-7(12)13-8-5(10)1-2-6(8)11;1-5(2)3-4-6/h8H,3-7H2,1-2H3;9H,1-4H2;5-6H,3-4H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol?
(2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol has a molecular weight of 502.56 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol is sourced from PubChem (CID 144847954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).