methyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate

C11H20N2O3 — CID 134900701

IUPACmethyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate
SMILESCOC(=O)CC1CCN(C(C)C)C(=O)N1C
InChIInChI=1S/C11H20N2O3/c1-8(2)13-6-5-9(7-10(14)16-4)12(3)11(13)15/h8-9H,5-7H2,1-4H3
InChIKeyCHOKVHFJXRPOLM-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.08
Rot. Bonds3

About methyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate

methyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate (PubChem CID 134900701) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate
PubChem CID134900701
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate
SMILESCOC(=O)CC1CCN(C(C)C)C(=O)N1C
InChIInChI=1S/C11H20N2O3/c1-8(2)13-6-5-9(7-10(14)16-4)12(3)11(13)15/h8-9H,5-7H2,1-4H3
InChIKeyCHOKVHFJXRPOLM-UHFFFAOYSA-N
XLogP1.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate?
The IUPAC name of methyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate (CID 134900701) is methyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate.
What is the SMILES notation for methyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate?
The canonical SMILES for methyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate is COC(=O)CC1CCN(C(C)C)C(=O)N1C.
What is the InChIKey of methyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate?
The InChIKey is CHOKVHFJXRPOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)13-6-5-9(7-10(14)16-4)12(3)11(13)15/h8-9H,5-7H2,1-4H3.
What are the key properties of methyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate?
methyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate has a molecular weight of 228.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate is sourced from PubChem (CID 134900701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).