ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate

C12H20N2O5 — CID 82778065

IUPACethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CN1CC(=O)N(CC)CC1=O
InChIInChI=1S/C12H20N2O5/c1-3-13-7-11(17)14(8-10(13)16)6-9(15)5-12(18)19-4-2/h9,15H,3-8H2,1-2H3
InChIKeyKMIXCWCTBFHPCT-UHFFFAOYSA-N
MW272.30 g/mol
LogP-1.01
Rot. Bonds6

About ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate

ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate (PubChem CID 82778065) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate
PubChem CID82778065
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Nameethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CN1CC(=O)N(CC)CC1=O
InChIInChI=1S/C12H20N2O5/c1-3-13-7-11(17)14(8-10(13)16)6-9(15)5-12(18)19-4-2/h9,15H,3-8H2,1-2H3
InChIKeyKMIXCWCTBFHPCT-UHFFFAOYSA-N
XLogP-1.01
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate
CID 82776514
ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
CID 79937200
ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate
CID 82774900
ethyl 4-(azocan-1-yl)-3-hydroxybutanoate
CID 82777815
ethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate
CID 82775093
ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate
CID 82777495
ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate
CID 82778791
ethyl 3-hydroxy-4-(3-methyl-2-oxobenzimidazol-1-yl)butanoate
CID 82776970
ethyl 3-hydroxy-4-(5-oxo-1,4-diazepan-1-yl)butanoate
CID 82768810
ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 154108314
ethyl 3-hydroxy-4-(3-methyl-2-oxo-1-pyridinyl)butanoate
CID 82777530
ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate
CID 82775103

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate?
The IUPAC name of ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate (CID 82778065) is ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate is CCOC(=O)CC(O)CN1CC(=O)N(CC)CC1=O.
What is the InChIKey of ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate?
The InChIKey is KMIXCWCTBFHPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-3-13-7-11(17)14(8-10(13)16)6-9(15)5-12(18)19-4-2/h9,15H,3-8H2,1-2H3.
What are the key properties of ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate?
ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate has a molecular weight of 272.30 g/mol, XLogP of -1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate is sourced from PubChem (CID 82778065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).