(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one

C11H20N2O — CID 79012311

IUPAC(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CC2CCC1C2
InChIInChI=1S/C11H20N2O/c1-7(2)10(12)11(14)13-6-8-3-4-9(13)5-8/h7-10H,3-6,12H2,1-2H3/t8?,9?,10-/m1/s1
InChIKeyDOGWPGVIVJVKSO-UDNWOFFPSA-N
MW196.29 g/mol
LogP0.98
Rot. Bonds2

About (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one

(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one (PubChem CID 79012311) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one
PubChem CID79012311
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CC2CCC1C2
InChIInChI=1S/C11H20N2O/c1-7(2)10(12)11(14)13-6-8-3-4-9(13)5-8/h7-10H,3-6,12H2,1-2H3/t8?,9?,10-/m1/s1
InChIKeyDOGWPGVIVJVKSO-UDNWOFFPSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one
CID 103929735
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-bromopropan-1-one
CID 107905003
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone
CID 103515712
2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one
CID 62476618
3-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-3-phenylpropan-1-one
CID 80552145
2-amino-3-methyl-1-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)butan-1-one
CID 130679894
2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone
CID 54980977
propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 116654809
1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one
CID 126972983
N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 130614903
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one
CID 79191629
2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one
CID 119328025

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one (CID 79012311) is (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one is CC(C)[C@@H](N)C(=O)N1CC2CCC1C2.
What is the InChIKey of (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one?
The InChIKey is DOGWPGVIVJVKSO-UDNWOFFPSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(2)10(12)11(14)13-6-8-3-4-9(13)5-8/h7-10H,3-6,12H2,1-2H3/t8?,9?,10-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one?
(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one has a molecular weight of 196.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one is sourced from PubChem (CID 79012311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).