1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

C11H20N2O — CID 167316729

IUPAC1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC[C@@H](C)C12CC1(C)CC(C(N)=O)N2
InChIInChI=1S/C11H20N2O/c1-4-7(2)11-6-10(11,3)5-8(13-11)9(12)14/h7-8,13H,4-6H2,1-3H3,(H2,12,14)/t7-,8?,10?,11?/m1/s1
InChIKeyGPKMFMAAFZTILD-WHERFPGRSA-N
MW196.29 g/mol
LogP1.03
Rot. Bonds3

About 1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 167316729) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID167316729
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC[C@@H](C)C12CC1(C)CC(C(N)=O)N2
InChIInChI=1S/C11H20N2O/c1-4-7(2)11-6-10(11,3)5-8(13-11)9(12)14/h7-8,13H,4-6H2,1-3H3,(H2,12,14)/t7-,8?,10?,11?/m1/s1
InChIKeyGPKMFMAAFZTILD-WHERFPGRSA-N
XLogP1.03
TPSA55.12 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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 167316729) is 1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is CC[C@@H](C)C12CC1(C)CC(C(N)=O)N2.
What is the InChIKey of 1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is GPKMFMAAFZTILD-WHERFPGRSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-7(2)11-6-10(11,3)5-8(13-11)9(12)14/h7-8,13H,4-6H2,1-3H3,(H2,12,14)/t7-,8?,10?,11?/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 167316729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).