(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid

C24H33NO3Si — CID 67956644

IUPAC(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid
SMILESC[C@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)O)C1
InChIInChI=1S/C24H33NO3Si/c1-19-15-16-20(25(17-19)23(26)27)18-28-29(24(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,19-20H,15-18H2,1-4H3,(H,26,27)/t19-,20-/m0/s1
InChIKeyUXLXYIMICUVTIT-PMACEKPBSA-N
MW411.62 g/mol
LogP4.34
Rot. Bonds5

About (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid

(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid (PubChem CID 67956644) has the molecular formula C24H33NO3Si and a molecular weight of 411.62 g/mol. Its IUPAC name is (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid
PubChem CID67956644
Molecular FormulaC24H33NO3Si
Molecular Weight411.62 g/mol
Exact Mass411.22
IUPAC Name(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid
SMILESC[C@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)O)C1
InChIInChI=1S/C24H33NO3Si/c1-19-15-16-20(25(17-19)23(26)27)18-28-29(24(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,19-20H,15-18H2,1-4H3,(H,26,27)/t19-,20-/m0/s1
InChIKeyUXLXYIMICUVTIT-PMACEKPBSA-N
XLogP4.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.62
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid?
The IUPAC name of (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid (CID 67956644) is (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid?
The canonical SMILES for (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid is C[C@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)O)C1.
What is the InChIKey of (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid?
The InChIKey is UXLXYIMICUVTIT-PMACEKPBSA-N. The full InChI is InChI=1S/C24H33NO3Si/c1-19-15-16-20(25(17-19)23(26)27)18-28-29(24(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,19-20H,15-18H2,1-4H3,(H,26,27)/t19-,20-/m0/s1.
What are the key properties of (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid?
(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid has a molecular weight of 411.62 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 67956644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).