ethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate

C10H17NO4 — CID 23241211

IUPACethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate
SMILESCCOC(=O)C1=NO[C@@](C)(O)C(C)(C)C1
InChIInChI=1S/C10H17NO4/c1-5-14-8(12)7-6-9(2,3)10(4,13)15-11-7/h13H,5-6H2,1-4H3/t10-/m1/s1
InChIKeyBAXMHGAAYXRPQJ-SNVBAGLBSA-N
MW215.25 g/mol
LogP1.06
Rot. Bonds2

About ethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate

ethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate (PubChem CID 23241211) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate.

Molecular Properties

Compound Nameethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate
PubChem CID23241211
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate
SMILESCCOC(=O)C1=NO[C@@](C)(O)C(C)(C)C1
InChIInChI=1S/C10H17NO4/c1-5-14-8(12)7-6-9(2,3)10(4,13)15-11-7/h13H,5-6H2,1-4H3/t10-/m1/s1
InChIKeyBAXMHGAAYXRPQJ-SNVBAGLBSA-N
XLogP1.06
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate?
The IUPAC name of ethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate (CID 23241211) is ethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate.
What is the SMILES notation for ethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate?
The canonical SMILES for ethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate is CCOC(=O)C1=NO[C@@](C)(O)C(C)(C)C1.
What is the InChIKey of ethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate?
The InChIKey is BAXMHGAAYXRPQJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17NO4/c1-5-14-8(12)7-6-9(2,3)10(4,13)15-11-7/h13H,5-6H2,1-4H3/t10-/m1/s1.
What are the key properties of ethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate?
ethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate is sourced from PubChem (CID 23241211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).