2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium

C12H19N4O5+ — CID 134866140

IUPAC2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium
SMILESCOC(=O)CN(CC[NH3+])C(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N4O5/c1-8-5-16(12(20)14-11(8)19)6-9(17)15(4-3-13)7-10(18)21-2/h5H,3-4,6-7,13H2,1-2H3,(H,14,19,20)/p+1
InChIKeyWWPMGSDLASIMPM-UHFFFAOYSA-O
MW299.31 g/mol
LogP-2.91
Rot. Bonds6

About 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium

2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium (PubChem CID 134866140) has the molecular formula C12H19N4O5+ and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium
PubChem CID134866140
Molecular FormulaC12H19N4O5+
Molecular Weight299.31 g/mol
Exact Mass299.13
IUPAC Name2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium
SMILESCOC(=O)CN(CC[NH3+])C(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N4O5/c1-8-5-16(12(20)14-11(8)19)6-9(17)15(4-3-13)7-10(18)21-2/h5H,3-4,6-7,13H2,1-2H3,(H,14,19,20)/p+1
InChIKeyWWPMGSDLASIMPM-UHFFFAOYSA-O
XLogP-2.91
TPSA129.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-2.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium (CID 134866140) is 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium is COC(=O)CN(CC[NH3+])C(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium?
The InChIKey is WWPMGSDLASIMPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H18N4O5/c1-8-5-16(12(20)14-11(8)19)6-9(17)15(4-3-13)7-10(18)21-2/h5H,3-4,6-7,13H2,1-2H3,(H,14,19,20)/p+1.
What are the key properties of 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium?
2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium has a molecular weight of 299.31 g/mol, XLogP of -2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium is sourced from PubChem (CID 134866140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).