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

C8H11NO5 — CID 54277925

IUPACmethyl 2-[2-(hydroxymethyl)-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate
SMILESCOC(=O)CC1=NCC(CO)OC1=O
InChIInChI=1S/C8H11NO5/c1-13-7(11)2-6-8(12)14-5(4-10)3-9-6/h5,10H,2-4H2,1H3
InChIKeyROSPFSODQQWDHF-UHFFFAOYSA-N
MW201.18 g/mol
LogP-1.09
Rot. Bonds3

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

methyl 2-[2-(hydroxymethyl)-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate (PubChem CID 54277925) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is methyl 2-[2-(hydroxymethyl)-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(hydroxymethyl)-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate
PubChem CID54277925
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Namemethyl 2-[2-(hydroxymethyl)-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate
SMILESCOC(=O)CC1=NCC(CO)OC1=O
InChIInChI=1S/C8H11NO5/c1-13-7(11)2-6-8(12)14-5(4-10)3-9-6/h5,10H,2-4H2,1H3
InChIKeyROSPFSODQQWDHF-UHFFFAOYSA-N
XLogP-1.09
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-(2-methyl-6-oxo-2,3-dihydro-1,4-oxazin-5-yl)acetate
CID 53963268
Methyl 3-(2,3-dihydroxypropylimino)butanoate
CID 54063850
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-[2-(hydroxymethyl)-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate?
The IUPAC name of methyl 2-[2-(hydroxymethyl)-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate (CID 54277925) is methyl 2-[2-(hydroxymethyl)-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate.
What is the SMILES notation for methyl 2-[2-(hydroxymethyl)-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate?
The canonical SMILES for methyl 2-[2-(hydroxymethyl)-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate is COC(=O)CC1=NCC(CO)OC1=O.
What is the InChIKey of methyl 2-[2-(hydroxymethyl)-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate?
The InChIKey is ROSPFSODQQWDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c1-13-7(11)2-6-8(12)14-5(4-10)3-9-6/h5,10H,2-4H2,1H3.
What are the key properties of methyl 2-[2-(hydroxymethyl)-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate?
methyl 2-[2-(hydroxymethyl)-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate has a molecular weight of 201.18 g/mol, XLogP of -1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(hydroxymethyl)-6-oxo-2,3-dihydro-1,4-oxazin-5-yl]acetate is sourced from PubChem (CID 54277925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).