tert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate

C10H17NO3 — CID 58618366

IUPACtert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate
SMILES[2H]C([2H])([2H])[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@@H]1C
InChIInChI=1S/C10H17NO3/c1-6-7(2)11(8(6)12)9(13)14-10(3,4)5/h6-7H,1-5H3/t6-,7-/m1/s1/i1D3
InChIKeyMPHQKPASHHINSD-COQJHTRXSA-N
MW202.27 g/mol
LogP1.79
Rot. Bonds1

About tert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate

tert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate (PubChem CID 58618366) has the molecular formula C10H17NO3 and a molecular weight of 202.27 g/mol. Its IUPAC name is tert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate
PubChem CID58618366
Molecular FormulaC10H17NO3
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Nametert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate
SMILES[2H]C([2H])([2H])[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@@H]1C
InChIInChI=1S/C10H17NO3/c1-6-7(2)11(8(6)12)9(13)14-10(3,4)5/h6-7H,1-5H3/t6-,7-/m1/s1/i1D3
InChIKeyMPHQKPASHHINSD-COQJHTRXSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ditert-butyl (2R,3S)-4-oxo-3-(trideuteriomethyl)azetidine-1,2-dicarboxylate
CID 10924199
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 21299736
tert-butyl (3R,5S)-5-(hydroxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 22883709
tert-butyl (3R,5R)-3-hydroxy-5-methyl-2-oxopyrrolidine-1-carboxylate
CID 10976837
tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate
CID 11736302
tert-butyl 5-(iodomethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 130003338
tert-butyl (3R,5S)-5-acetyl-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 58451499
1-O-tert-butyl 2-O-methyl (2S,3S)-3-deuterio-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 176786602
tert-butyl (3S,5S)-5-formyl-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 89448958
tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate
CID 135392142
tert-butyl 2-(hydroxymethyl)-4-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 118414755
tert-butyl (2S,4R)-4-hydroxy-2-methyl-6-oxopiperidine-1-carboxylate
CID 102357347

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate (CID 58618366) is tert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate is [2H]C([2H])([2H])[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@@H]1C.
What is the InChIKey of tert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate?
The InChIKey is MPHQKPASHHINSD-COQJHTRXSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6-7(2)11(8(6)12)9(13)14-10(3,4)5/h6-7H,1-5H3/t6-,7-/m1/s1/i1D3.
What are the key properties of tert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate?
tert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate has a molecular weight of 202.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate is sourced from PubChem (CID 58618366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).