2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid

C24H31NO4Si — CID 174057201

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
SMILESCC(C)(C)[Si](OC1CN2CC(O)CC2(C(=O)O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO4Si/c1-23(2,3)30(20-10-6-4-7-11-20,21-12-8-5-9-13-21)29-19-15-24(22(27)28)14-18(26)16-25(24)17-19/h4-13,18-19,26H,14-17H2,1-3H3,(H,27,28)
InChIKeyWRTWABHGYNWWLZ-UHFFFAOYSA-N
MW425.60 g/mol
LogP2.23
Rot. Bonds5

About 2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid

2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid (PubChem CID 174057201) has the molecular formula C24H31NO4Si and a molecular weight of 425.60 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
PubChem CID174057201
Molecular FormulaC24H31NO4Si
Molecular Weight425.60 g/mol
Exact Mass425.20
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
SMILESCC(C)(C)[Si](OC1CN2CC(O)CC2(C(=O)O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO4Si/c1-23(2,3)30(20-10-6-4-7-11-20,21-12-8-5-9-13-21)29-19-15-24(22(27)28)14-18(26)16-25(24)17-19/h4-13,18-19,26H,14-17H2,1-3H3,(H,27,28)
InChIKeyWRTWABHGYNWWLZ-UHFFFAOYSA-N
XLogP2.23
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane
CID 167381101
(1R,3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-1,4-dimethylcyclohexane-1-carboxylic acid
CID 67319834
tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate
CID 166543577
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
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid
CID 175889399
tert-butyl 6-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[3.3]heptane-2-carboxylate
CID 140920935
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
(4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 171692304
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384
methyl (1S,3R,4R,5S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methylbicyclo[3.1.0]hexane-1-carboxylate
CID 11625671

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid (CID 174057201) is 2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid is CC(C)(C)[Si](OC1CN2CC(O)CC2(C(=O)O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The InChIKey is WRTWABHGYNWWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4Si/c1-23(2,3)30(20-10-6-4-7-11-20,21-12-8-5-9-13-21)29-19-15-24(22(27)28)14-18(26)16-25(24)17-19/h4-13,18-19,26H,14-17H2,1-3H3,(H,27,28).
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid has a molecular weight of 425.60 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid is sourced from PubChem (CID 174057201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).