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

C24H37NO5Si — CID 54440426

IUPACbenzyl (4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)C1([C@H]2CN(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/t19-,20?/m0/s1
InChIKeyWNSBCOQIUYNJKY-XJDOXCRVSA-N
MW447.65 g/mol
LogP4.99
Rot. Bonds7

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

benzyl (4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate (PubChem CID 54440426) has the molecular formula C24H37NO5Si and a molecular weight of 447.65 g/mol. Its IUPAC name is benzyl (4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate
PubChem CID54440426
Molecular FormulaC24H37NO5Si
Molecular Weight447.65 g/mol
Exact Mass447.24
IUPAC Namebenzyl (4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)C1([C@H]2CN(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/t19-,20?/m0/s1
InChIKeyWNSBCOQIUYNJKY-XJDOXCRVSA-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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Related Compounds

benzyl (3S,4R)-3-(1-ethoxycarbonylcyclopropyl)-4-fluoropyrrolidine-1-carboxylate
CID 10893025
benzyl (4S)-4-(1-ethoxycarbonylcyclopropyl)-3,3-difluoropyrrolidine-1-carboxylate
CID 10991811
1-Benzyloxycarbonyl-4-(S)-(1-ethoxycarbonylcyclopropyl)-3-(S)-fluoropyrrolidine
CID 11035036
Benzyl 4-(1-ethoxycarbonylcyclopropyl)-3,3-difluoropyrrolidine-1-carboxylate
CID 21261026
Benzyl 3-(1-ethoxycarbonylcyclopropyl)-4-fluoropyrrolidine-1-carboxylate
CID 21261028
1-Benzyloxycarbonyl-4-(R)-(1-ethoxycarbonylcyclopropyl)-3,3-difluoropyrrolidine
CID 21971261
1-Benzyloxycarbonyl-4-(R)-(1-ethoxycarbonylcyclopropyl)-3-(S)-fluoropyrrolidine
CID 21971262
2-O-benzyl 1-O-tert-butyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate
CID 68284093
2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate
CID 142420440
benzyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylpyrrolidine-1-carboxylate
CID 45103067
(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 45103068
1-O-benzyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropanoyl)pyrrolidine-1,2-dicarboxylate
CID 102312152

Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate (CID 54440426) is benzyl (4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate is CCOC(=O)C1([C@H]2CN(C(=O)OCc3ccccc3)CC2O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of benzyl (4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate?
The InChIKey is WNSBCOQIUYNJKY-XJDOXCRVSA-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/t19-,20?/m0/s1.
What are the key properties of benzyl (4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate?
benzyl (4S)-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 (4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethoxycarbonylcyclopropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 54440426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).