(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid

C18H39NO4Si2 — CID 90311649

IUPAC(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H39NO4Si2/c1-17(2,3)24(7,8)22-14-11-12-19(16(20)21)13-15(14)23-25(9,10)18(4,5)6/h14-15H,11-13H2,1-10H3,(H,20,21)/t14-,15-/m1/s1
InChIKeyRZKHRHDEGKVUSX-HUUCEWRRSA-N
MW389.69 g/mol
LogP5.15
Rot. Bonds4

About (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid

(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid (PubChem CID 90311649) has the molecular formula C18H39NO4Si2 and a molecular weight of 389.69 g/mol. Its IUPAC name is (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid
PubChem CID90311649
Molecular FormulaC18H39NO4Si2
Molecular Weight389.69 g/mol
Exact Mass389.24
IUPAC Name(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H39NO4Si2/c1-17(2,3)24(7,8)22-14-11-12-19(16(20)21)13-15(14)23-25(9,10)18(4,5)6/h14-15H,11-13H2,1-10H3,(H,20,21)/t14-,15-/m1/s1
InChIKeyRZKHRHDEGKVUSX-HUUCEWRRSA-N
XLogP5.15
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.69
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 22047925
CID 22047925
CID 67130193
CID 67130193
CID 67130205
CID 67130205
CID 67971752
CID 67971752
CID 68603632
CID 68603632
CID 70984549
CID 70984549
CID 77441235
CID 77441235
CID 89920104
CID 89920104
CID 135396613
CID 135396613
CID 140780917
CID 140780917
CID 141361197
CID 141361197
CID 145758127
CID 145758127

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid?
The IUPAC name of (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid (CID 90311649) is (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid.
What is the SMILES notation for (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid?
The canonical SMILES for (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid is CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid?
The InChIKey is RZKHRHDEGKVUSX-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H39NO4Si2/c1-17(2,3)24(7,8)22-14-11-12-19(16(20)21)13-15(14)23-25(9,10)18(4,5)6/h14-15H,11-13H2,1-10H3,(H,20,21)/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid?
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid has a molecular weight of 389.69 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 90311649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).