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

C12H22N2O3 — CID 134899516

IUPACmethyl 2-(3,4-dimethyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate
SMILESCOC(=O)CC1(C)CCN(C(C)C)C(=O)N1C
InChIInChI=1S/C12H22N2O3/c1-9(2)14-7-6-12(3,8-10(15)17-5)13(4)11(14)16/h9H,6-8H2,1-5H3
InChIKeySVMBIALMZUANQR-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.47
Rot. Bonds3

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

methyl 2-(3,4-dimethyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate (PubChem CID 134899516) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-(3,4-dimethyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,4-dimethyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate
PubChem CID134899516
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-(3,4-dimethyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate
SMILESCOC(=O)CC1(C)CCN(C(C)C)C(=O)N1C
InChIInChI=1S/C12H22N2O3/c1-9(2)14-7-6-12(3,8-10(15)17-5)13(4)11(14)16/h9H,6-8H2,1-5H3
InChIKeySVMBIALMZUANQR-UHFFFAOYSA-N
XLogP1.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dimethyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate?
The IUPAC name of methyl 2-(3,4-dimethyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate (CID 134899516) is methyl 2-(3,4-dimethyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate.
What is the SMILES notation for methyl 2-(3,4-dimethyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate?
The canonical SMILES for methyl 2-(3,4-dimethyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate is COC(=O)CC1(C)CCN(C(C)C)C(=O)N1C.
What is the InChIKey of methyl 2-(3,4-dimethyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate?
The InChIKey is SVMBIALMZUANQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)14-7-6-12(3,8-10(15)17-5)13(4)11(14)16/h9H,6-8H2,1-5H3.
What are the key properties of methyl 2-(3,4-dimethyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate?
methyl 2-(3,4-dimethyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate has a molecular weight of 242.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dimethyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate is sourced from PubChem (CID 134899516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).