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

C7H9NO4 — CID 7082498

IUPACmethyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate
SMILESCOC(=O)CC1=NCCOC1=O
InChIInChI=1S/C7H9NO4/c1-11-6(9)4-5-7(10)12-3-2-8-5/h2-4H2,1H3
InChIKeyNYVZXEGFAVXVFD-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.45
Rot. Bonds2

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

methyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate (PubChem CID 7082498) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is methyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate
PubChem CID7082498
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Namemethyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate
SMILESCOC(=O)CC1=NCCOC1=O
InChIInChI=1S/C7H9NO4/c1-11-6(9)4-5-7(10)12-3-2-8-5/h2-4H2,1H3
InChIKeyNYVZXEGFAVXVFD-UHFFFAOYSA-N
XLogP-0.45
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate
CID 22667488
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
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 4-acetyloxy-3-methyliminobutanoate
CID 54557934
Ethyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate
CID 153776660
Dimethyl 2-methyliminobutanedioate
CID 163944663
4-Methoxy-2-methylimino-4-oxobutanoate
CID 7574671

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate?
The IUPAC name of methyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate (CID 7082498) is methyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate.
What is the SMILES notation for methyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate?
The canonical SMILES for methyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate is COC(=O)CC1=NCCOC1=O.
What is the InChIKey of methyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate?
The InChIKey is NYVZXEGFAVXVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-11-6(9)4-5-7(10)12-3-2-8-5/h2-4H2,1H3.
What are the key properties of methyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate?
methyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate has a molecular weight of 171.15 g/mol, XLogP of -0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate is sourced from PubChem (CID 7082498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).