tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate

C11H21NO4 — CID 171934867

IUPACtert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate
SMILES[2H]C([2H])([2H])O[C@@H]1C[C@H](CO)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-6-9(15-4)5-8(12)7-13/h8-9,13H,5-7H2,1-4H3/t8-,9-/m1/s1/i4D3
InChIKeyZYVBYRKLECISLP-GKDDPXBFSA-N
MW234.31 g/mol
LogP1.00
Rot. Bonds3

About tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate

tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate (PubChem CID 171934867) has the molecular formula C11H21NO4 and a molecular weight of 234.31 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate
PubChem CID171934867
Molecular FormulaC11H21NO4
Molecular Weight234.31 g/mol
Exact Mass234.17
IUPAC Nametert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate
SMILES[2H]C([2H])([2H])O[C@@H]1C[C@H](CO)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-6-9(15-4)5-8(12)7-13/h8-9,13H,5-7H2,1-4H3/t8-,9-/m1/s1/i4D3
InChIKeyZYVBYRKLECISLP-GKDDPXBFSA-N
XLogP1.00
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate
CID 139708119
tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 130614753
tert-butyl (2R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 54350495
tert-butyl 4-butoxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 139708144
tert-butyl 2-(aminomethyl)-4-methoxypyrrolidine-1-carboxylate
CID 77452832
tert-butyl (2S,4S)-2-(hydroxymethyl)-4-sulfanylpyrrolidine-1-carboxylate
CID 51358557
2-[(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 146155270
tert-butyl (2S,4S)-2-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate
CID 53484855
tert-butyl 2-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate
CID 52911109
tert-butyl (2S,4S)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 69333213
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 11425669
tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 11129340

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate (CID 171934867) is tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate is [2H]C([2H])([2H])O[C@@H]1C[C@H](CO)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate?
The InChIKey is ZYVBYRKLECISLP-GKDDPXBFSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-6-9(15-4)5-8(12)7-13/h8-9,13H,5-7H2,1-4H3/t8-,9-/m1/s1/i4D3.
What are the key properties of tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate has a molecular weight of 234.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 171934867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).