(1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane

C10H18N2O — CID 130654042

IUPAC(1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
SMILESCOCC1[C@H]2CN(C3CNC3)C[C@@H]12
InChIInChI=1S/C10H18N2O/c1-13-6-10-8-4-12(5-9(8)10)7-2-11-3-7/h7-11H,2-6H2,1H3/t8-,9+,10?
InChIKeyHVLKGKRVSGMLGB-ULKQDVFKSA-N
MW182.27 g/mol
LogP-0.22
Rot. Bonds3

About (1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane

(1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 130654042) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID130654042
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
SMILESCOCC1[C@H]2CN(C3CNC3)C[C@@H]12
InChIInChI=1S/C10H18N2O/c1-13-6-10-8-4-12(5-9(8)10)7-2-11-3-7/h7-11H,2-6H2,1H3/t8-,9+,10?
InChIKeyHVLKGKRVSGMLGB-ULKQDVFKSA-N
XLogP-0.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)-3-(methoxymethyl)pyrrolidine
CID 64599135
1-(azetidin-3-yl)-3-methoxyazetidine
CID 89434796
1-(azetidin-3-yl)pyrrolidine-3,4-diol
CID 106674356
6-(methoxymethyl)bicyclo[3.1.0]hexane
CID 147202482
(1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 130621753
4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide
CID 130791969
3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane
CID 138958511
(2S,6R)-2-(methoxymethyl)-6-methylmorpholine
CID 95252382
4-(azetidin-3-yl)-1-methylpiperazine-2-carbaldehyde
CID 174732061
1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine
CID 81093537
(3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol
CID 130802727
(3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol
CID 11182838

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane (CID 130654042) is (1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane is COCC1[C@H]2CN(C3CNC3)C[C@@H]12.
What is the InChIKey of (1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is HVLKGKRVSGMLGB-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H18N2O/c1-13-6-10-8-4-12(5-9(8)10)7-2-11-3-7/h7-11H,2-6H2,1H3/t8-,9+,10?.
What are the key properties of (1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane?
(1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 182.27 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 130654042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).