(1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one

C10H17NO2 — CID 142709754

IUPAC(1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
SMILESCC1(C)[C@@]2(C)CC[C@@]1(N)C(=O)OC2
InChIInChI=1S/C10H17NO2/c1-8(2)9(3)4-5-10(8,11)7(12)13-6-9/h4-6,11H2,1-3H3/t9-,10+/m0/s1
InChIKeyASWQRWYXKOYEHA-VHSXEESVSA-N
MW183.25 g/mol
LogP1.07
Rot. Bonds

About (1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one

(1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one (PubChem CID 142709754) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name(1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
PubChem CID142709754
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
SMILESCC1(C)[C@@]2(C)CC[C@@]1(N)C(=O)OC2
InChIInChI=1S/C10H17NO2/c1-8(2)9(3)4-5-10(8,11)7(12)13-6-9/h4-6,11H2,1-3H3/t9-,10+/m0/s1
InChIKeyASWQRWYXKOYEHA-VHSXEESVSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one
CID 58477005
3a,7a-dimethyl-4,7-dihydro-3H-2-benzofuran-1-one
CID 89303981
N-[(1R,6S)-1,9,9-trimethyl-4-oxo-3-oxabicyclo[4.2.1]nonan-6-yl]acetamide
CID 130315374
(1S,5R)-1-(2,3-dihydropyrrole-1-carbonyl)-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
CID 11587008
(1S,5R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
CID 10858788
4-amino-3,3,5,5-tetramethyloxan-2-one
CID 14723652
3-amino-3-methyloxan-2-one;hydrochloride
CID 19437229
(3S)-3-ethyl-3-methyloxetan-2-one
CID 102402061
1-benzoyl-5-methyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 102391621
3,3-dimethyloxetan-2-one;ethenone;formaldehyde
CID 165098325
(3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one
CID 42303356
trifluoromethanesulfonate;(1S,5R)-5,8,8-trimethyl-1-(4-phenylpyridin-1-ium-1-carbonyl)-3-oxabicyclo[3.2.1]octan-2-one
CID 11156274

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one?
The IUPAC name of (1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one (CID 142709754) is (1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for (1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one?
The canonical SMILES for (1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one is CC1(C)[C@@]2(C)CC[C@@]1(N)C(=O)OC2.
What is the InChIKey of (1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one?
The InChIKey is ASWQRWYXKOYEHA-VHSXEESVSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)9(3)4-5-10(8,11)7(12)13-6-9/h4-6,11H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one?
(1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 142709754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).