3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid

C23H29NO3Si — CID 67033690

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid
SMILESC=CC1CN(C(=O)O)CC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H29NO3Si/c1-5-18-16-24(22(25)26)17-21(18)27-28(23(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h5-15,18,21H,1,16-17H2,2-4H3,(H,25,26)
InChIKeyDFBJWDABZHRYPU-UHFFFAOYSA-N
MW395.58 g/mol
LogP3.73
Rot. Bonds5

About 3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid

3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid (PubChem CID 67033690) has the molecular formula C23H29NO3Si and a molecular weight of 395.58 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid
PubChem CID67033690
Molecular FormulaC23H29NO3Si
Molecular Weight395.58 g/mol
Exact Mass395.19
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid
SMILESC=CC1CN(C(=O)O)CC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H29NO3Si/c1-5-18-16-24(22(25)26)17-21(18)27-28(23(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h5-15,18,21H,1,16-17H2,2-4H3,(H,25,26)
InChIKeyDFBJWDABZHRYPU-UHFFFAOYSA-N
XLogP3.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.58
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid
CID 175815286
(4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 171692304
(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 70976300
2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde
CID 171085570
2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde
CID 171085563
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
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
tert-butyl (3S)-3-[tert-butyl(diphenyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11351099
tert-butyl 5-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate
CID 131747989

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid (CID 67033690) is 3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid is C=CC1CN(C(=O)O)CC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid?
The InChIKey is DFBJWDABZHRYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3Si/c1-5-18-16-24(22(25)26)17-21(18)27-28(23(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h5-15,18,21H,1,16-17H2,2-4H3,(H,25,26).
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid?
3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid has a molecular weight of 395.58 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67033690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).