methyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate

C9H13NO4 — CID 54443438

IUPACmethyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate
SMILESCOC(=O)CC1=NC(C)(C)COC1=O
InChIInChI=1S/C9H13NO4/c1-9(2)5-14-8(12)6(10-9)4-7(11)13-3/h4-5H2,1-3H3
InChIKeyWPTNMUXEEGMYFP-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.33
Rot. Bonds2

About methyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate

methyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate (PubChem CID 54443438) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate
PubChem CID54443438
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Namemethyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate
SMILESCOC(=O)CC1=NC(C)(C)COC1=O
InChIInChI=1S/C9H13NO4/c1-9(2)5-14-8(12)6(10-9)4-7(11)13-3/h4-5H2,1-3H3
InChIKeyWPTNMUXEEGMYFP-UHFFFAOYSA-N
XLogP0.33
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(acetyloxymethyl)-5-methyl-6-oxo-2H-1,4-oxazin-3-yl]methyl acetate
CID 121006261
Methyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate
CID 7082498
Methyl 2-(2-methyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate
CID 53963268
Methyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate
CID 54011702
methyl 2-[3-(hydroxymethyl)-3-methyl-6-oxo-2H-1,4-oxazin-5-yl]acetate
CID 54122499
Methyl 2-(3-ethyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate
CID 54479975
Ethyl 4-acetyloxy-3-methyliminobutanoate
CID 54557934
3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one
CID 86227487
Ethyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate
CID 153776660
2-Oxazolepropanoic acid, 4,5-dihydro-4,4-dimethyl-, methyl ester
CID 39733687
[3-(acetyloxymethyl)-5-ethyl-6-oxo-2H-1,4-oxazin-3-yl]methyl acetate
CID 121002904
ethyl 2-[(2S)-2-methyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate
CID 125508195

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate?
The IUPAC name of methyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate (CID 54443438) is methyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate.
What is the SMILES notation for methyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate?
The canonical SMILES for methyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate is COC(=O)CC1=NC(C)(C)COC1=O.
What is the InChIKey of methyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate?
The InChIKey is WPTNMUXEEGMYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-9(2)5-14-8(12)6(10-9)4-7(11)13-3/h4-5H2,1-3H3.
What are the key properties of methyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate?
methyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate has a molecular weight of 199.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate is sourced from PubChem (CID 54443438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).