tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate

C21H41NO5Si — CID 102168425

IUPACtert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)CC[C@@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C21H41NO5Si/c1-10-25-18(23)14-13-16-11-12-17(15-26-28(8,9)21(5,6)7)22(16)19(24)27-20(2,3)4/h16-17H,10-15H2,1-9H3/t16-,17-/m0/s1
InChIKeyRXDOPMCRDVIVDH-IRXDYDNUSA-N
MW415.65 g/mol
LogP5.12
Rot. Bonds7

About tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate

tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate (PubChem CID 102168425) has the molecular formula C21H41NO5Si and a molecular weight of 415.65 g/mol. Its IUPAC name is tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
PubChem CID102168425
Molecular FormulaC21H41NO5Si
Molecular Weight415.65 g/mol
Exact Mass415.28
IUPAC Nametert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)CC[C@@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C21H41NO5Si/c1-10-25-18(23)14-13-16-11-12-17(15-26-28(8,9)21(5,6)7)22(16)19(24)27-20(2,3)4/h16-17H,10-15H2,1-9H3/t16-,17-/m0/s1
InChIKeyRXDOPMCRDVIVDH-IRXDYDNUSA-N
XLogP5.12
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.65
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)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
(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
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-3-ethoxy-1-hydroxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 10645646
(2S,4R)-1-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-[(R)-1-hydroxy-2-(methoxycarbonyl)ethyl]pyrrolidine
CID 10862338
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 19427997
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 22864760
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(4-ethoxy-3-methyl-4-oxobutyl)pyrrolidine-1-carboxylate
CID 22864765
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate
CID 22864766

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate (CID 102168425) is tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate is CCOC(=O)CC[C@@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
The InChIKey is RXDOPMCRDVIVDH-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H41NO5Si/c1-10-25-18(23)14-13-16-11-12-17(15-26-28(8,9)21(5,6)7)22(16)19(24)27-20(2,3)4/h16-17H,10-15H2,1-9H3/t16-,17-/m0/s1.
What are the key properties of tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate has a molecular weight of 415.65 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 102168425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).