(1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane

C5H9NO2 — CID 55299693

IUPAC(1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane
SMILESCO[C@H]1OC[C@@H]2N[C@H]12
InChIInChI=1S/C5H9NO2/c1-7-5-4-3(6-4)2-8-5/h3-6H,2H2,1H3/t3-,4-,5-/m0/s1
InChIKeyKWPNIEIBVGRZPE-YUPRTTJUSA-N
MW115.13 g/mol
LogP-0.67
Rot. Bonds1

About (1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane

(1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane (PubChem CID 55299693) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane
PubChem CID55299693
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane
SMILESCO[C@H]1OC[C@@H]2N[C@H]12
InChIInChI=1S/C5H9NO2/c1-7-5-4-3(6-4)2-8-5/h3-6H,2H2,1H3/t3-,4-,5-/m0/s1
InChIKeyKWPNIEIBVGRZPE-YUPRTTJUSA-N
XLogP-0.67
TPSA40.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane
CID 55300793
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane
CID 142869266
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(3R)-2,3,5-trimethoxyoxane
CID 145057673
(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
CID 100984386
(2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol
CID 58510378
(4E)-2-methoxy-4-methoxyiminooxane-3,5-diol
CID 14483110
(3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 15714977
2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane
CID 91699165
(2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane
CID 91010056

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane (CID 55299693) is (1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane is CO[C@H]1OC[C@@H]2N[C@H]12.
What is the InChIKey of (1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane?
The InChIKey is KWPNIEIBVGRZPE-YUPRTTJUSA-N. The full InChI is InChI=1S/C5H9NO2/c1-7-5-4-3(6-4)2-8-5/h3-6H,2H2,1H3/t3-,4-,5-/m0/s1.
What are the key properties of (1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane?
(1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane has a molecular weight of 115.13 g/mol, XLogP of -0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 55299693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).