[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate

C13H20N2O5 — CID 139972981

IUPAC[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C13H20N2O5/c1-4-14-5-6-15(12(18)11(14)17)7-10(16)8-20-13(19)9(2)3/h10,16H,2,4-8H2,1,3H3
InChIKeyOYTFRBUGOLXHRM-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.84
Rot. Bonds6

About [3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate

[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate (PubChem CID 139972981) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is [3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate
PubChem CID139972981
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C13H20N2O5/c1-4-14-5-6-15(12(18)11(14)17)7-10(16)8-20-13(19)9(2)3/h10,16H,2,4-8H2,1,3H3
InChIKeyOYTFRBUGOLXHRM-UHFFFAOYSA-N
XLogP-0.84
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide
CID 139972989
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
[2-hydroxy-3-(1,4,8,11-tetrazacyclotetradec-1-yl)propyl] 2-methylprop-2-enoate
CID 10831185
1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate
CID 139972996
(4-amino-2-hydroxy-4-oxobutyl) 2-methylprop-2-enoate
CID 87605994
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
CID 174987309
triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride
CID 18541546
[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-amino-2-methylbutanoate
CID 146532690

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate (CID 139972981) is [3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)CN1CCN(CC)C(=O)C1=O.
What is the InChIKey of [3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate?
The InChIKey is OYTFRBUGOLXHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-4-14-5-6-15(12(18)11(14)17)7-10(16)8-20-13(19)9(2)3/h10,16H,2,4-8H2,1,3H3.
What are the key properties of [3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate?
[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate has a molecular weight of 284.31 g/mol, XLogP of -0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 139972981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).