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

C12H22N2O — CID 103929735

IUPAC(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)[C@@H](N)C(=O)N1CC2CCC1C2
InChIInChI=1S/C12H22N2O/c1-12(2,3)10(13)11(15)14-7-8-4-5-9(14)6-8/h8-10H,4-7,13H2,1-3H3/t8?,9?,10-/m0/s1
InChIKeyDPBYJVSMFDVJQK-RTBKNWGFSA-N
MW210.32 g/mol
LogP1.37
Rot. Bonds1

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

(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one (PubChem CID 103929735) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one
PubChem CID103929735
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)[C@@H](N)C(=O)N1CC2CCC1C2
InChIInChI=1S/C12H22N2O/c1-12(2,3)10(13)11(15)14-7-8-4-5-9(14)6-8/h8-10H,4-7,13H2,1-3H3/t8?,9?,10-/m0/s1
InChIKeyDPBYJVSMFDVJQK-RTBKNWGFSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.37
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-methylbutan-1-one
CID 79012311
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
2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone
CID 54980977
tert-butyl 5-(2-amino-3,3-dimethylbutanoyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 76741177
3-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-3-phenylpropan-1-one
CID 80552145
2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 77077441
N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 130614903
(2S)-2-amino-3,3-dimethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 79938834
propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 116654809
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158610

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one (CID 103929735) is (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one is CC(C)(C)[C@@H](N)C(=O)N1CC2CCC1C2.
What is the InChIKey of (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one?
The InChIKey is DPBYJVSMFDVJQK-RTBKNWGFSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,3)10(13)11(15)14-7-8-4-5-9(14)6-8/h8-10H,4-7,13H2,1-3H3/t8?,9?,10-/m0/s1.
What are the key properties of (2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one?
(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.37, 1 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)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 103929735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).