(2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane

C16H30N2O6 — CID 165397730

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane
SMILESCC.CC(CCOC(C)(C)CN)OCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H24N2O6.C2H6/c1-10(6-7-21-14(2,3)9-15)20-8-13(19)22-16-11(17)4-5-12(16)18;1-2/h10H,4-9,15H2,1-3H3;1-2H3
InChIKeyKSZDCSLTKLPNOL-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.17
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane

(2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane (PubChem CID 165397730) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane
PubChem CID165397730
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane
SMILESCC.CC(CCOC(C)(C)CN)OCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H24N2O6.C2H6/c1-10(6-7-21-14(2,3)9-15)20-8-13(19)22-16-11(17)4-5-12(16)18;1-2/h10H,4-9,15H2,1-3H3;1-2H3
InChIKeyKSZDCSLTKLPNOL-UHFFFAOYSA-N
XLogP1.17
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(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-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 57369360
(2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate
CID 177234164
1-O-tert-butyl 5-O-(2,5-dioxopyrrolidin-1-yl) 2-methylpentanedioate
CID 166007558
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 71356458
(2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate
CID 121263313
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate
CID 58472277
bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate
CID 153431412
tert-butyl 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate
CID 162050928
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate
CID 162642529
(2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-4-oxobutan-2-yl]oxy-2-methylbutan-2-yl]oxy-3-(2-methyl-4-propan-2-yloxybutan-2-yl)oxypropoxy]-3-methylbutoxy]-3-methylbutanoate
CID 121265065

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane (CID 165397730) is (2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane is CC.CC(CCOC(C)(C)CN)OCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane?
The InChIKey is KSZDCSLTKLPNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6.C2H6/c1-10(6-7-21-14(2,3)9-15)20-8-13(19)22-16-11(17)4-5-12(16)18;1-2/h10H,4-9,15H2,1-3H3;1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane?
(2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane has a molecular weight of 346.42 g/mol, XLogP of 1.17, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane is sourced from PubChem (CID 165397730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).