(2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one

C7H11NO4 — CID 90920326

IUPAC(2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one
SMILESCO[C@@H]1CN[C@H]2C(=O)OCC2O1
InChIInChI=1S/C7H11NO4/c1-10-5-2-8-6-4(12-5)3-11-7(6)9/h4-6,8H,2-3H2,1H3/t4?,5-,6+/m0/s1
InChIKeyIFJLNGOJRQQTCO-DUAGOPDLSA-N
MW173.17 g/mol
LogP-1.13
Rot. Bonds1

About (2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one

(2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one (PubChem CID 90920326) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one.

Molecular Properties

Compound Name(2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one
PubChem CID90920326
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one
SMILESCO[C@@H]1CN[C@H]2C(=O)OCC2O1
InChIInChI=1S/C7H11NO4/c1-10-5-2-8-6-4(12-5)3-11-7(6)9/h4-6,8H,2-3H2,1H3/t4?,5-,6+/m0/s1
InChIKeyIFJLNGOJRQQTCO-DUAGOPDLSA-N
XLogP-1.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one?
The IUPAC name of (2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one (CID 90920326) is (2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one.
What is the SMILES notation for (2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one?
The canonical SMILES for (2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one is CO[C@@H]1CN[C@H]2C(=O)OCC2O1.
What is the InChIKey of (2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one?
The InChIKey is IFJLNGOJRQQTCO-DUAGOPDLSA-N. The full InChI is InChI=1S/C7H11NO4/c1-10-5-2-8-6-4(12-5)3-11-7(6)9/h4-6,8H,2-3H2,1H3/t4?,5-,6+/m0/s1.
What are the key properties of (2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one?
(2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one has a molecular weight of 173.17 g/mol, XLogP of -1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one is sourced from PubChem (CID 90920326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).