methyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate

C10H15NO4 — CID 54011702

IUPACmethyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate
SMILESCOC(=O)CC1=NC(C(C)C)COC1=O
InChIInChI=1S/C10H15NO4/c1-6(2)8-5-15-10(13)7(11-8)4-9(12)14-3/h6,8H,4-5H2,1-3H3
InChIKeyKSUVQGGJNDRQNU-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.57
Rot. Bonds3

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

methyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate (PubChem CID 54011702) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is methyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate
PubChem CID54011702
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namemethyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate
SMILESCOC(=O)CC1=NC(C(C)C)COC1=O
InChIInChI=1S/C10H15NO4/c1-6(2)8-5-15-10(13)7(11-8)4-9(12)14-3/h6,8H,4-5H2,1-3H3
InChIKeyKSUVQGGJNDRQNU-UHFFFAOYSA-N
XLogP0.57
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
CID 15206014
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-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate
CID 54443438
Methyl 2-(3-ethyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate
CID 54479975
Ethyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate
CID 153776660
(3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one
CID 10821323
ethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate
CID 11346643
ethyl 2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate
CID 21673920
Ethyl 2-(5-isopropyl-3,6-dimethoxy-2,5-dihydropyrazin-2-yl)acetate
CID 73821699
diethyl 2-oxo-5H-pyrimidine-4,5-dicarboxylate
CID 77519602
ethyl 2-((5R)-5-isopropyl-3,6-dimethoxy-2,5-dihydropyrazin-2-yl)acetate
CID 78357975

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate?
The IUPAC name of methyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate (CID 54011702) is methyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate.
What is the SMILES notation for methyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate?
The canonical SMILES for methyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate is COC(=O)CC1=NC(C(C)C)COC1=O.
What is the InChIKey of methyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate?
The InChIKey is KSUVQGGJNDRQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6(2)8-5-15-10(13)7(11-8)4-9(12)14-3/h6,8H,4-5H2,1-3H3.
What are the key properties of methyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate?
methyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate has a molecular weight of 213.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate is sourced from PubChem (CID 54011702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).