3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylic acid

C13H27NO4Si — CID 67130193

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylic acid
SMILESCOC1CC(O[Si](C)(C)C(C)(C)C)CN(C(=O)O)C1
InChIInChI=1S/C13H27NO4Si/c1-13(2,3)19(5,6)18-11-7-10(17-4)8-14(9-11)12(15)16/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKeyMZKPKMPFEYXTJC-UHFFFAOYSA-N
MW289.45 g/mol
LogP2.78
Rot. Bonds3

About 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylic acid

3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylic acid (PubChem CID 67130193) has the molecular formula C13H27NO4Si and a molecular weight of 289.45 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylic acid
PubChem CID67130193
Molecular FormulaC13H27NO4Si
Molecular Weight289.45 g/mol
Exact Mass289.17
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylic acid
SMILESCOC1CC(O[Si](C)(C)C(C)(C)C)CN(C(=O)O)C1
InChIInChI=1S/C13H27NO4Si/c1-13(2,3)19(5,6)18-11-7-10(17-4)8-14(9-11)12(15)16/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKeyMZKPKMPFEYXTJC-UHFFFAOYSA-N
XLogP2.78
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylic acid (CID 67130193) is 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylic acid is COC1CC(O[Si](C)(C)C(C)(C)C)CN(C(=O)O)C1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylic acid?
The InChIKey is MZKPKMPFEYXTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4Si/c1-13(2,3)19(5,6)18-11-7-10(17-4)8-14(9-11)12(15)16/h10-11H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylic acid?
3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylic acid has a molecular weight of 289.45 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 67130193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).