benzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate

C24H37NO5Si — CID 21260997

IUPACbenzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)C1(C2CN(C(=O)OCc3ccccc3)CC2O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C24H37NO5Si/c1-7-28-21(26)24(13-14-24)19-15-25(16-20(19)30-31(5,6)23(2,3)4)22(27)29-17-18-11-9-8-10-12-18/h8-12,19-20H,7,13-17H2,1-6H3
InChIKeyWNSBCOQIUYNJKY-UHFFFAOYSA-N
MW447.65 g/mol
LogP4.99
Rot. Bonds7

About benzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate

benzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate (PubChem CID 21260997) has the molecular formula C24H37NO5Si and a molecular weight of 447.65 g/mol. Its IUPAC name is benzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate
PubChem CID21260997
Molecular FormulaC24H37NO5Si
Molecular Weight447.65 g/mol
Exact Mass447.24
IUPAC Namebenzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)C1(C2CN(C(=O)OCc3ccccc3)CC2O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C24H37NO5Si/c1-7-28-21(26)24(13-14-24)19-15-25(16-20(19)30-31(5,6)23(2,3)4)22(27)29-17-18-11-9-8-10-12-18/h8-12,19-20H,7,13-17H2,1-6H3
InChIKeyWNSBCOQIUYNJKY-UHFFFAOYSA-N
XLogP4.99
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.65
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate (CID 21260997) is benzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate is CCOC(=O)C1(C2CN(C(=O)OCc3ccccc3)CC2O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of benzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate?
The InChIKey is WNSBCOQIUYNJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO5Si/c1-7-28-21(26)24(13-14-24)19-15-25(16-20(19)30-31(5,6)23(2,3)4)22(27)29-17-18-11-9-8-10-12-18/h8-12,19-20H,7,13-17H2,1-6H3.
What are the key properties of benzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate?
benzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate has a molecular weight of 447.65 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 21260997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).