4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid

C21H27NO3Si — CID 71317354

IUPAC4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](OC1CNC(C(=O)O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)25-16-14-19(20(23)24)22-15-16/h4-13,16,19,22H,14-15H2,1-3H3,(H,23,24)
InChIKeyLHSRURYOCDIZEW-UHFFFAOYSA-N
MW369.54 g/mol
LogP2.38
Rot. Bonds5

About 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid

4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid (PubChem CID 71317354) has the molecular formula C21H27NO3Si and a molecular weight of 369.54 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid
PubChem CID71317354
Molecular FormulaC21H27NO3Si
Molecular Weight369.54 g/mol
Exact Mass369.18
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](OC1CNC(C(=O)O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)25-16-14-19(20(23)24)22-15-16/h4-13,16,19,22H,14-15H2,1-3H3,(H,23,24)
InChIKeyLHSRURYOCDIZEW-UHFFFAOYSA-N
XLogP2.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methyl]benzoic acid
CID 174143265
[(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane
CID 174429442
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599
methyl (2S)-2-(4-bromophenyl)-2-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]acetate
CID 101247392
(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 171817186
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
tert-butyl-diphenyl-[(3R)-pyrrolidin-3-yl]oxysilane
CID 58393504
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid (CID 71317354) is 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid is CC(C)(C)[Si](OC1CNC(C(=O)O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid?
The InChIKey is LHSRURYOCDIZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)25-16-14-19(20(23)24)22-15-16/h4-13,16,19,22H,14-15H2,1-3H3,(H,23,24).
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid?
4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid has a molecular weight of 369.54 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 71317354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).