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

C11H20N2O — CID 130662861

IUPAC(1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C11H20N2O/c1-4-11(2,3)13-10(14)9-7-5-12-6-8(7)9/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9?
InChIKeyLMFXQNYWQDJMLB-JVHMLUBASA-N
MW196.29 g/mol
LogP0.76
Rot. Bonds3

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

(1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 130662861) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID130662861
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C11H20N2O/c1-4-11(2,3)13-10(14)9-7-5-12-6-8(7)9/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9?
InChIKeyLMFXQNYWQDJMLB-JVHMLUBASA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 167524503
(1S,5R)-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 131207269
(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 94915342
(1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 121419230
(1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294066
(1S,5R)-N-[2-methyl-1-[(2-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294249
(1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294449
(2R,3S)-3-(2-methylbutan-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 114091575
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60916171
(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294246
(5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 144745325
N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide
CID 130616999

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 130662861) is (1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is LMFXQNYWQDJMLB-JVHMLUBASA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-11(2,3)13-10(14)9-7-5-12-6-8(7)9/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9?.
What are the key properties of (1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 130662861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).