trideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

C10H17NO3 — CID 10631952

IUPACtrideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILES[2H]C([2H])([2H])OC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C
InChIInChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1/i2D3
InChIKeyQIQNNBXHAYSQRY-ZEMMDPEGSA-N
MW202.27 g/mol
LogP0.00
Rot. Bonds2

About trideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

trideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (PubChem CID 10631952) has the molecular formula C10H17NO3 and a molecular weight of 202.27 g/mol. Its IUPAC name is trideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.

Molecular Properties

Compound Nametrideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
PubChem CID10631952
Molecular FormulaC10H17NO3
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Nametrideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILES[2H]C([2H])([2H])OC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C
InChIInChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1/i2D3
InChIKeyQIQNNBXHAYSQRY-ZEMMDPEGSA-N
XLogP0.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate with MolForge

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Related Compounds

ethyl (1S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 161298426
3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid chloride
CID 53313515
CID 158851641
CID 158851641
benzyl (1S,2S,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 11054920
methyl (1S,2S,3S,5S)-3-benzoylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 165363732
methyl (1R,2S,3S,5S)-3-benzoylsulfanyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 101171127
methyl (1S,2R,3S,5R)-3-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 10354317
2-phenylethyl (1S,2S,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 11033567
[4-(aminomethyl)benzoyl] (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 18651112
(2,4-dimethylbenzoyl) (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 22967333
7-methyl-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride
CID 20522308
methyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 126703914

Frequently Asked Questions

What is the IUPAC name of trideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The IUPAC name of trideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (CID 10631952) is trideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
What is the SMILES notation for trideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The canonical SMILES for trideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is [2H]C([2H])([2H])OC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C.
What is the InChIKey of trideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The InChIKey is QIQNNBXHAYSQRY-ZEMMDPEGSA-N. The full InChI is InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1/i2D3.
What are the key properties of trideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
trideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate has a molecular weight of 202.27 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is sourced from PubChem (CID 10631952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).