4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid

C26H37N3O5Si — CID 68567946

IUPAC4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OCC(CO)NC(=O)NC1CCN(C(=O)O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37N3O5Si/c1-26(2,3)35(22-10-6-4-7-11-22,23-12-8-5-9-13-23)34-19-21(18-30)28-24(31)27-20-14-16-29(17-15-20)25(32)33/h4-13,20-21,30H,14-19H2,1-3H3,(H,32,33)(H2,27,28,31)
InChIKeyRUBSFHGHXNRTHN-UHFFFAOYSA-N
MW499.68 g/mol
LogP2.37
Rot. Bonds8

About 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid

4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid (PubChem CID 68567946) has the molecular formula C26H37N3O5Si and a molecular weight of 499.68 g/mol. Its IUPAC name is 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid
PubChem CID68567946
Molecular FormulaC26H37N3O5Si
Molecular Weight499.68 g/mol
Exact Mass499.25
IUPAC Name4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OCC(CO)NC(=O)NC1CCN(C(=O)O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37N3O5Si/c1-26(2,3)35(22-10-6-4-7-11-22,23-12-8-5-9-13-23)34-19-21(18-30)28-24(31)27-20-14-16-29(17-15-20)25(32)33/h4-13,20-21,30H,14-19H2,1-3H3,(H,32,33)(H2,27,28,31)
InChIKeyRUBSFHGHXNRTHN-UHFFFAOYSA-N
XLogP2.37
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 52.37
H-Bond Donors ≤ 54
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 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid (CID 68567946) is 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid is CC(C)(C)[Si](OCC(CO)NC(=O)NC1CCN(C(=O)O)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid?
The InChIKey is RUBSFHGHXNRTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O5Si/c1-26(2,3)35(22-10-6-4-7-11-22,23-12-8-5-9-13-23)34-19-21(18-30)28-24(31)27-20-14-16-29(17-15-20)25(32)33/h4-13,20-21,30H,14-19H2,1-3H3,(H,32,33)(H2,27,28,31).
What are the key properties of 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid?
4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid has a molecular weight of 499.68 g/mol, XLogP of 2.37, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 68567946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).