Skip to content

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

C19H37NO4Si — CID 25112311

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.