tert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate

C19H37NO4Si — CID 25112311

IUPACtert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H37NO4Si/c1-18(2,3)24-17(22)20-13-9-10-15(20)11-12-16(21)14-23-25(7,8)19(4,5)6/h15H,9-14H2,1-8H3/t15-/m0/s1
InChIKeyFVIRSQIWUHPIEB-HNNXBMFYSA-N
MW371.59 g/mol
LogP4.76
Rot. Bonds6

About tert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate (PubChem CID 25112311) has the molecular formula C19H37NO4Si and a molecular weight of 371.59 g/mol. Its IUPAC name is tert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate
PubChem CID25112311
Molecular FormulaC19H37NO4Si
Molecular Weight371.59 g/mol
Exact Mass371.25
IUPAC Nametert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H37NO4Si/c1-18(2,3)24-17(22)20-13-9-10-15(20)11-12-16(21)14-23-25(7,8)19(4,5)6/h15H,9-14H2,1-8H3/t15-/m0/s1
InChIKeyFVIRSQIWUHPIEB-HNNXBMFYSA-N
XLogP4.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.59
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]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 (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10894674
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate
CID 11360757
tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(4,8-dioxooctyl)pyrrolidine-1-carboxylate
CID 134951070
tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 162400570
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate
CID 22864766
Tert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate
CID 165163835
tert-butyl (2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methoxy-3-oxopropyl)-2-methylpyrrolidine-1-carboxylate
CID 177053848
tert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate
CID 54756703
tert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-nonyl-2-oxopyrrolidine-1-carboxylate
CID 101883898
tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 102168425

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate (CID 25112311) is tert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate?
The InChIKey is FVIRSQIWUHPIEB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H37NO4Si/c1-18(2,3)24-17(22)20-13-9-10-15(20)11-12-16(21)14-23-25(7,8)19(4,5)6/h15H,9-14H2,1-8H3/t15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate has a molecular weight of 371.59 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 25112311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).