(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

C28H39NO5Si — CID 153497767

IUPAC(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H39NO5Si/c1-27(2,3)34-26(32)29-18-17-21(25(30)31)19-22(29)20-33-35(28(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,21-22H,17-20H2,1-6H3,(H,30,31)/t21-,22-/m1/s1
InChIKeyZPOGQPQUSMYADB-FGZHOGPDSA-N
MW497.71 g/mol
LogP4.66
Rot. Bonds6

About (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 153497767) has the molecular formula C28H39NO5Si and a molecular weight of 497.71 g/mol. Its IUPAC name is (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID153497767
Molecular FormulaC28H39NO5Si
Molecular Weight497.71 g/mol
Exact Mass497.26
IUPAC Name(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H39NO5Si/c1-27(2,3)34-26(32)29-18-17-21(25(30)31)19-22(29)20-33-35(28(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,21-22H,17-20H2,1-6H3,(H,30,31)/t21-,22-/m1/s1
InChIKeyZPOGQPQUSMYADB-FGZHOGPDSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 153497767) is (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is ZPOGQPQUSMYADB-FGZHOGPDSA-N. The full InChI is InChI=1S/C28H39NO5Si/c1-27(2,3)34-26(32)29-18-17-21(25(30)31)19-22(29)20-33-35(28(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,21-22H,17-20H2,1-6H3,(H,30,31)/t21-,22-/m1/s1.
What are the key properties of (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 497.71 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 153497767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).