[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium

C10H19N2O5+ — CID 59381550

IUPAC[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium
SMILESCCOC(=O)CC(NC(=O)C[NH3+])C(=O)OCC
InChIInChI=1S/C10H18N2O5/c1-3-16-9(14)5-7(10(15)17-4-2)12-8(13)6-11/h7H,3-6,11H2,1-2H3,(H,12,13)/p+1
InChIKeyUCUDWKZWUOUPEF-UHFFFAOYSA-O
MW247.27 g/mol
LogP-1.77
Rot. Bonds7

About [2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium

[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium (PubChem CID 59381550) has the molecular formula C10H19N2O5+ and a molecular weight of 247.27 g/mol. Its IUPAC name is [2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium
PubChem CID59381550
Molecular FormulaC10H19N2O5+
Molecular Weight247.27 g/mol
Exact Mass247.13
IUPAC Name[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium
SMILESCCOC(=O)CC(NC(=O)C[NH3+])C(=O)OCC
InChIInChI=1S/C10H18N2O5/c1-3-16-9(14)5-7(10(15)17-4-2)12-8(13)6-11/h7H,3-6,11H2,1-2H3,(H,12,13)/p+1
InChIKeyUCUDWKZWUOUPEF-UHFFFAOYSA-O
XLogP-1.77
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium?
The IUPAC name of [2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium (CID 59381550) is [2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium is CCOC(=O)CC(NC(=O)C[NH3+])C(=O)OCC.
What is the InChIKey of [2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium?
The InChIKey is UCUDWKZWUOUPEF-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N2O5/c1-3-16-9(14)5-7(10(15)17-4-2)12-8(13)6-11/h7H,3-6,11H2,1-2H3,(H,12,13)/p+1.
What are the key properties of [2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium?
[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium has a molecular weight of 247.27 g/mol, XLogP of -1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 59381550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).