4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

C28H39NO5Si — CID 123743890

IUPAC4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1CN(C(=O)OC(C)(C)C)CC1C(=O)O
InChIInChI=1S/C28H39NO5Si/c1-20(23-18-29(19-24(23)25(30)31)26(32)33-27(2,3)4)34-35(28(5,6)7,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,20,23-24H,18-19H2,1-7H3,(H,30,31)
InChIKeySAEDGHNWPLRTRF-UHFFFAOYSA-N
MW497.71 g/mol
LogP4.52
Rot. Bonds6

About 4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 123743890) has the molecular formula C28H39NO5Si and a molecular weight of 497.71 g/mol. Its IUPAC name is 4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID123743890
Molecular FormulaC28H39NO5Si
Molecular Weight497.71 g/mol
Exact Mass497.26
IUPAC Name4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1CN(C(=O)OC(C)(C)C)CC1C(=O)O
InChIInChI=1S/C28H39NO5Si/c1-20(23-18-29(19-24(23)25(30)31)26(32)33-27(2,3)4)34-35(28(5,6)7,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,20,23-24H,18-19H2,1-7H3,(H,30,31)
InChIKeySAEDGHNWPLRTRF-UHFFFAOYSA-N
XLogP4.52
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.71
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-benzoyl-4-propan-2-ylpyrrolidine-1-carboxylate
CID 66677848
tert-butyl (3S)-3-[tert-butyl(diphenyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11351099
tert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate
CID 123285187
tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 156837021
(3R,4R)-4-(2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 7145897
tert-butyl 6-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[3.3]heptane-2-carboxylate
CID 140920935
(3R,4R)-4-(2-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 51418510
(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 169225341
tert-butyl 5-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate
CID 131747989
tert-butyl 8-[tert-butyl(diphenyl)silyl]oxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 171498404
tert-butyl (3R,4S)-3-(difluoromethyl)-4-phenylpyrrolidine-1-carboxylate
CID 176768614
(3R,4R)-4-(2-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 51441183

Frequently Asked Questions

What is the IUPAC name of 4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid (CID 123743890) is 4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid is CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1CN(C(=O)OC(C)(C)C)CC1C(=O)O.
What is the InChIKey of 4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is SAEDGHNWPLRTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39NO5Si/c1-20(23-18-29(19-24(23)25(30)31)26(32)33-27(2,3)4)34-35(28(5,6)7,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,20,23-24H,18-19H2,1-7H3,(H,30,31).
What are the key properties of 4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?
4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 497.71 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 123743890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).