tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate

C18H35NO4Si — CID 177053901

IUPACtert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate
SMILESC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO4Si/c1-13-15(23-24(8,9)18(5,6)7)12-14(10-11-20)19(13)16(21)22-17(2,3)4/h11,13-15H,10,12H2,1-9H3/t13-,14-,15-/m1/s1
InChIKeyXTBKFEGEKTXTNG-RBSFLKMASA-N
MW357.57 g/mol
LogP4.36
Rot. Bonds4

About tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate

tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate (PubChem CID 177053901) has the molecular formula C18H35NO4Si and a molecular weight of 357.57 g/mol. Its IUPAC name is tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate
PubChem CID177053901
Molecular FormulaC18H35NO4Si
Molecular Weight357.57 g/mol
Exact Mass357.23
IUPAC Nametert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate
SMILESC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO4Si/c1-13-15(23-24(8,9)18(5,6)7)12-14(10-11-20)19(13)16(21)22-17(2,3)4/h11,13-15H,10,12H2,1-9H3/t13-,14-,15-/m1/s1
InChIKeyXTBKFEGEKTXTNG-RBSFLKMASA-N
XLogP4.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.57
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-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

tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate
CID 11360757
(2R,5R,6S)-N-(t-Butyloxycarbonyl)-6-methyl-5-(triisopropylsiloxy)piperidine-2-carboxaldehyde
CID 132427756
tert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate
CID 10959261
(2R,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(2-formylethyl)pyrrolidine
CID 10498568
tert-Butyl (2R,4R)-4-{[tert-butyl(dimethyl)silyl]oxy}-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10621099
(2S,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(formylmethyl)pyrrolidine
CID 10807344
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 19427997
(2S,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(2-ethoxycarbonyl)ethylpyrrolidine
CID 22865010
tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pyrrolidine-1-carboxylate
CID 22881096
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate
CID 57095579
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 66993932
Tert-butyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67294822

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate (CID 177053901) is tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate is C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate?
The InChIKey is XTBKFEGEKTXTNG-RBSFLKMASA-N. The full InChI is InChI=1S/C18H35NO4Si/c1-13-15(23-24(8,9)18(5,6)7)12-14(10-11-20)19(13)16(21)22-17(2,3)4/h11,13-15H,10,12H2,1-9H3/t13-,14-,15-/m1/s1.
What are the key properties of tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate has a molecular weight of 357.57 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 177053901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).