ethyl 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetate

C12H21N3O4 — CID 75306245

IUPACethyl 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetate
SMILESCCOC(=O)CC1NC(=O)CC(N2CCOCC2)N1
InChIInChI=1S/C12H21N3O4/c1-2-19-12(17)7-9-13-10(8-11(16)14-9)15-3-5-18-6-4-15/h9-10,13H,2-8H2,1H3,(H,14,16)
InChIKeyVISHFXPPIPERRP-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.97
Rot. Bonds4

About ethyl 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetate

ethyl 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetate (PubChem CID 75306245) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetate
PubChem CID75306245
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Nameethyl 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetate
SMILESCCOC(=O)CC1NC(=O)CC(N2CCOCC2)N1
InChIInChI=1S/C12H21N3O4/c1-2-19-12(17)7-9-13-10(8-11(16)14-9)15-3-5-18-6-4-15/h9-10,13H,2-8H2,1H3,(H,14,16)
InChIKeyVISHFXPPIPERRP-UHFFFAOYSA-N
XLogP-0.97
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetate?
The IUPAC name of ethyl 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetate (CID 75306245) is ethyl 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetate is CCOC(=O)CC1NC(=O)CC(N2CCOCC2)N1.
What is the InChIKey of ethyl 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetate?
The InChIKey is VISHFXPPIPERRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-19-12(17)7-9-13-10(8-11(16)14-9)15-3-5-18-6-4-15/h9-10,13H,2-8H2,1H3,(H,14,16).
What are the key properties of ethyl 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetate?
ethyl 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetate has a molecular weight of 271.32 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetate is sourced from PubChem (CID 75306245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).