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

C9H13NO4 — CID 54479975

IUPACmethyl 2-(3-ethyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate
SMILESCCC1COC(=O)C(CC(=O)OC)=N1
InChIInChI=1S/C9H13NO4/c1-3-6-5-14-9(12)7(10-6)4-8(11)13-2/h6H,3-5H2,1-2H3
InChIKeyXOHYUXYVJWZDBY-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.33
Rot. Bonds3

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

methyl 2-(3-ethyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate (PubChem CID 54479975) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl 2-(3-ethyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-ethyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate
PubChem CID54479975
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Namemethyl 2-(3-ethyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate
SMILESCCC1COC(=O)C(CC(=O)OC)=N1
InChIInChI=1S/C9H13NO4/c1-3-6-5-14-9(12)7(10-6)4-8(11)13-2/h6H,3-5H2,1-2H3
InChIKeyXOHYUXYVJWZDBY-UHFFFAOYSA-N
XLogP0.33
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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

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Related Compounds

Methyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate
CID 7082498
Dimethyl 2-propan-2-yliminobutanedioate
CID 7164711
Propyl 4-acetyloxy-3-ethyliminobutanoate
CID 53737713
Diethyl 2-ethyliminobutanedioate
CID 53931489
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
Diethyl 2-cyclohexyliminobutanedioate
CID 54041169
methyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate
CID 54443438
Ethyl 4-acetyloxy-3-methyliminobutanoate
CID 54557934
Ethyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate
CID 153776660
ethyl 2-[(2S)-2-methyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate
CID 125508195
ethyl 2-[(2R)-2-methyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate
CID 125508196

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate?
The IUPAC name of methyl 2-(3-ethyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate (CID 54479975) is methyl 2-(3-ethyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate.
What is the SMILES notation for methyl 2-(3-ethyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate?
The canonical SMILES for methyl 2-(3-ethyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate is CCC1COC(=O)C(CC(=O)OC)=N1.
What is the InChIKey of methyl 2-(3-ethyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate?
The InChIKey is XOHYUXYVJWZDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-3-6-5-14-9(12)7(10-6)4-8(11)13-2/h6H,3-5H2,1-2H3.
What are the key properties of methyl 2-(3-ethyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate?
methyl 2-(3-ethyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate has a molecular weight of 199.21 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate is sourced from PubChem (CID 54479975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).