6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid

C13H15NO4 — CID 129201849

IUPAC6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid
SMILESO=C(O)C1=NOC(COCc2ccccc2)CC1
InChIInChI=1S/C13H15NO4/c15-13(16)12-7-6-11(18-14-12)9-17-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChIKeyIRZLKABJOVZKEN-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.82
Rot. Bonds5

About 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid

6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid (PubChem CID 129201849) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid
PubChem CID129201849
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid
SMILESO=C(O)C1=NOC(COCc2ccccc2)CC1
InChIInChI=1S/C13H15NO4/c15-13(16)12-7-6-11(18-14-12)9-17-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChIKeyIRZLKABJOVZKEN-UHFFFAOYSA-N
XLogP1.82
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone
CID 130287272
ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate
CID 129201855
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
7-(phenylmethoxymethyl)oxepan-2-one
CID 75080085
(6S)-3-hydroxy-6-(phenylmethoxymethyl)oxan-2-one
CID 67831333
2-bromo-1-[5-(phenylmethoxymethyl)oxolan-2-yl]ethanone
CID 155043251
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate
CID 125485988
butyl 2-[(2R,6S)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 102144353
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 22001466
(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
CID 90672360

Frequently Asked Questions

What is the IUPAC name of 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid?
The IUPAC name of 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid (CID 129201849) is 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid.
What is the SMILES notation for 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid?
The canonical SMILES for 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid is O=C(O)C1=NOC(COCc2ccccc2)CC1.
What is the InChIKey of 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid?
The InChIKey is IRZLKABJOVZKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-13(16)12-7-6-11(18-14-12)9-17-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16).
What are the key properties of 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid?
6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid is sourced from PubChem (CID 129201849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).