tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate

C16H31NO4Si — CID 25240168

IUPACtert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate
SMILES[2H][C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)[C@@H]1[2H]
InChIInChI=1S/C16H31NO4Si/c1-15(2,3)21-14(19)17-12(9-10-13(17)18)11-20-22(7,8)16(4,5)6/h12H,9-11H2,1-8H3/t12-/m0/s1/i9D,10D/t9-,10+,12-
InChIKeyBIVAQLMYVMOBJZ-ZXLWUGINSA-N
MW331.53 g/mol
LogP3.93
Rot. Bonds3

About tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate

tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate (PubChem CID 25240168) has the molecular formula C16H31NO4Si and a molecular weight of 331.53 g/mol. Its IUPAC name is tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate
PubChem CID25240168
Molecular FormulaC16H31NO4Si
Molecular Weight331.53 g/mol
Exact Mass331.21
IUPAC Nametert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate
SMILES[2H][C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)[C@@H]1[2H]
InChIInChI=1S/C16H31NO4Si/c1-15(2,3)21-14(19)17-12(9-10-13(17)18)11-20-22(7,8)16(4,5)6/h12H,9-11H2,1-8H3/t12-/m0/s1/i9D,10D/t9-,10+,12-
InChIKeyBIVAQLMYVMOBJZ-ZXLWUGINSA-N
XLogP3.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-Dimethylethyl (2S)-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-5-oxo-1-pyrrolidinecarboxylate
CID 10903613
(2S)-2-[[tert-Butyldimethylsilyloxy]methyl]-4-oxo-1-pyrrolidinecarboxylic Acid tert-Butyl Ester
CID 11099551
(2S,4R)-1-tert-butyl 2-methyl 4-(tert-butyldimethylsilyloxy)-5-oxopyrrolidine-1,2-dicarboxylate
CID 11793755
tert-butyl (2S)-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate
CID 10331392
tert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10894674
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 101247389
tert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
CID 135018918
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dioxopyrrolidine-1-carboxylate
CID 135019366
(4R)-3-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 164675286
tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate
CID 101170046
tert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate
CID 101170047
Pyroglutamic acid, N-isoBOC TBDMS
CID 6430000

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate (CID 25240168) is tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate is [2H][C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)[C@@H]1[2H].
What is the InChIKey of tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate?
The InChIKey is BIVAQLMYVMOBJZ-ZXLWUGINSA-N. The full InChI is InChI=1S/C16H31NO4Si/c1-15(2,3)21-14(19)17-12(9-10-13(17)18)11-20-22(7,8)16(4,5)6/h12H,9-11H2,1-8H3/t12-/m0/s1/i9D,10D/t9-,10+,12-.
What are the key properties of tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate has a molecular weight of 331.53 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 25240168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).