(1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide

C9H16N2O2 — CID 130621753

IUPAC(1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCNC(=O)N1C[C@@H]2C(COC)[C@@H]2C1
InChIInChI=1S/C9H16N2O2/c1-10-9(12)11-3-6-7(4-11)8(6)5-13-2/h6-8H,3-5H2,1-2H3,(H,10,12)/t6-,7+,8?
InChIKeyAONXNWBXQZODLX-DHBOJHSNSA-N
MW184.24 g/mol
LogP0.15
Rot. Bonds2

About (1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide

(1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 130621753) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID130621753
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCNC(=O)N1C[C@@H]2C(COC)[C@@H]2C1
InChIInChI=1S/C9H16N2O2/c1-10-9(12)11-3-6-7(4-11)8(6)5-13-2/h6-8H,3-5H2,1-2H3,(H,10,12)/t6-,7+,8?
InChIKeyAONXNWBXQZODLX-DHBOJHSNSA-N
XLogP0.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
3-tert-butyl-N-methylazetidine-1-carboxamide
CID 164830177
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
3-formyl-N-methylpyrrolidine-1-carboxamide
CID 90692240
4-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91916509
N-methyl-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 130479696
N-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide
CID 138656055
(1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 130654042
(1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 134346978
3-(dimethylamino)-N,4-dimethylpyrrolidine-1-carboxamide
CID 115690689
6-(methoxymethyl)bicyclo[3.1.0]hexane
CID 147202482
4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401798

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide (CID 130621753) is (1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide is CNC(=O)N1C[C@@H]2C(COC)[C@@H]2C1.
What is the InChIKey of (1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is AONXNWBXQZODLX-DHBOJHSNSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-10-9(12)11-3-6-7(4-11)8(6)5-13-2/h6-8H,3-5H2,1-2H3,(H,10,12)/t6-,7+,8?.
What are the key properties of (1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide?
(1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 130621753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).