(2-oxidooxazinan-4-yl) acetate

C6H10NO4- — CID 163541996

IUPAC(2-oxidooxazinan-4-yl) acetate
SMILESCC(=O)OC1CCON([O-])C1
InChIInChI=1S/C6H10NO4/c1-5(8)11-6-2-3-10-7(9)4-6/h6H,2-4H2,1H3/q-1
InChIKeyOKVHRTRNJKSCIM-UHFFFAOYSA-N
MW160.15 g/mol
LogP0.05
Rot. Bonds1

About (2-oxidooxazinan-4-yl) acetate

(2-oxidooxazinan-4-yl) acetate (PubChem CID 163541996) has the molecular formula C6H10NO4- and a molecular weight of 160.15 g/mol. Its IUPAC name is (2-oxidooxazinan-4-yl) acetate.

Molecular Properties

Compound Name(2-oxidooxazinan-4-yl) acetate
PubChem CID163541996
Molecular FormulaC6H10NO4-
Molecular Weight160.15 g/mol
Exact Mass160.06
IUPAC Name(2-oxidooxazinan-4-yl) acetate
SMILESCC(=O)OC1CCON([O-])C1
InChIInChI=1S/C6H10NO4/c1-5(8)11-6-2-3-10-7(9)4-6/h6H,2-4H2,1H3/q-1
InChIKeyOKVHRTRNJKSCIM-UHFFFAOYSA-N
XLogP0.05
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-oxidooxazinan-4-yl) acetate?
The IUPAC name of (2-oxidooxazinan-4-yl) acetate (CID 163541996) is (2-oxidooxazinan-4-yl) acetate.
What is the SMILES notation for (2-oxidooxazinan-4-yl) acetate?
The canonical SMILES for (2-oxidooxazinan-4-yl) acetate is CC(=O)OC1CCON([O-])C1.
What is the InChIKey of (2-oxidooxazinan-4-yl) acetate?
The InChIKey is OKVHRTRNJKSCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO4/c1-5(8)11-6-2-3-10-7(9)4-6/h6H,2-4H2,1H3/q-1.
What are the key properties of (2-oxidooxazinan-4-yl) acetate?
(2-oxidooxazinan-4-yl) acetate has a molecular weight of 160.15 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxidooxazinan-4-yl) acetate is sourced from PubChem (CID 163541996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).