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

C18H39NO4Si2 — CID 70984549

IUPAC(3S,4S)-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-/m0/s1
InChIKeyRZKHRHDEGKVUSX-GJZGRUSLSA-N
MW389.69 g/mol
LogP5.15
Rot. Bonds4

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

(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid (PubChem CID 70984549) has the molecular formula C18H39NO4Si2 and a molecular weight of 389.69 g/mol. Its IUPAC name is (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid
PubChem CID70984549
Molecular FormulaC18H39NO4Si2
Molecular Weight389.69 g/mol
Exact Mass389.24
IUPAC Name(3S,4S)-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-/m0/s1
InChIKeyRZKHRHDEGKVUSX-GJZGRUSLSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid?
The IUPAC name of (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid (CID 70984549) is (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid.
What is the SMILES notation for (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid?
The canonical SMILES for (3S,4S)-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 (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid?
The InChIKey is RZKHRHDEGKVUSX-GJZGRUSLSA-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-/m0/s1.
What are the key properties of (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid?
(3S,4S)-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 (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 70984549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).