(1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide

C9H15N2O2- — CID 174243631

IUPAC(1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCN([O-])C(=O)[C@H]1NC[C@H]2[C@@H]1C2(C)C
InChIInChI=1S/C9H15N2O2/c1-9(2)5-4-10-7(6(5)9)8(12)11(3)13/h5-7,10H,4H2,1-3H3/q-1/t5-,6-,7-/m0/s1
InChIKeyVMBXTVAJGXAEFA-ACZMJKKPSA-N
MW183.23 g/mol
LogP0.19
Rot. Bonds1

About (1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide

(1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 174243631) has the molecular formula C9H15N2O2- and a molecular weight of 183.23 g/mol. Its IUPAC name is (1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide
PubChem CID174243631
Molecular FormulaC9H15N2O2-
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name(1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCN([O-])C(=O)[C@H]1NC[C@H]2[C@@H]1C2(C)C
InChIInChI=1S/C9H15N2O2/c1-9(2)5-4-10-7(6(5)9)8(12)11(3)13/h5-7,10H,4H2,1-3H3/q-1/t5-,6-,7-/m0/s1
InChIKeyVMBXTVAJGXAEFA-ACZMJKKPSA-N
XLogP0.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide with MolForge

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Related Compounds

(2S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 91535472
6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl chloride
CID 168878796
(1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride
CID 163342230
sodium (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-sulfonate
CID 169053030
[(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol
CID 59551331
N-[4-amino-3-hydroxy-1-[(1R,2S)-2-methylcyclopropyl]-4-oxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 171749223
2,3-dibenzoyloxybutanedioic acid;methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 75244902
1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone
CID 70337370
(2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67428099
methyl 2-[[(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-pyridin-3-ylacetate
CID 167521642
[(2S)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 67428103
3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 155895517

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of (1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 174243631) is (1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for (1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for (1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide is CN([O-])C(=O)[C@H]1NC[C@H]2[C@@H]1C2(C)C.
What is the InChIKey of (1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is VMBXTVAJGXAEFA-ACZMJKKPSA-N. The full InChI is InChI=1S/C9H15N2O2/c1-9(2)5-4-10-7(6(5)9)8(12)11(3)13/h5-7,10H,4H2,1-3H3/q-1/t5-,6-,7-/m0/s1.
What are the key properties of (1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide?
(1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 183.23 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-N,6,6-trimethyl-N-oxido-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 174243631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).