(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylic acid

C12H25NO4Si — CID 141361197

IUPAC(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](O)CN(C(=O)O)C1
InChIInChI=1S/C12H25NO4Si/c1-12(2,3)18(4,5)17-10-6-9(14)7-13(8-10)11(15)16/h9-10,14H,6-8H2,1-5H3,(H,15,16)/t9-,10-/m1/s1
InChIKeyVEGONHWTIBQUPC-NXEZZACHSA-N
MW275.42 g/mol
LogP2.12
Rot. Bonds2

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

(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylic acid (PubChem CID 141361197) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylic acid
PubChem CID141361197
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC Name(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](O)CN(C(=O)O)C1
InChIInChI=1S/C12H25NO4Si/c1-12(2,3)18(4,5)17-10-6-9(14)7-13(8-10)11(15)16/h9-10,14H,6-8H2,1-5H3,(H,15,16)/t9-,10-/m1/s1
InChIKeyVEGONHWTIBQUPC-NXEZZACHSA-N
XLogP2.12
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
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 (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylic acid (CID 141361197) is (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylic acid is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](O)CN(C(=O)O)C1.
What is the InChIKey of (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylic acid?
The InChIKey is VEGONHWTIBQUPC-NXEZZACHSA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-12(2,3)18(4,5)17-10-6-9(14)7-13(8-10)11(15)16/h9-10,14H,6-8H2,1-5H3,(H,15,16)/t9-,10-/m1/s1.
What are the key properties of (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylic acid?
(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylic acid has a molecular weight of 275.42 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 141361197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).