2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid

C16H29NO6Si — CID 66590923

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid
SMILESCCOC(=O)C1CN(C(=O)O)C(CO[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C16H29NO6Si/c1-7-22-14(19)12-9-17(15(20)21)11(8-13(12)18)10-23-24(5,6)16(2,3)4/h11-12H,7-10H2,1-6H3,(H,20,21)
InChIKeySKRNZJVXYFKMSQ-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.51
Rot. Bonds5

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid (PubChem CID 66590923) has the molecular formula C16H29NO6Si and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid
PubChem CID66590923
Molecular FormulaC16H29NO6Si
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid
SMILESCCOC(=O)C1CN(C(=O)O)C(CO[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C16H29NO6Si/c1-7-22-14(19)12-9-17(15(20)21)11(8-13(12)18)10-23-24(5,6)16(2,3)4/h11-12H,7-10H2,1-6H3,(H,20,21)
InChIKeySKRNZJVXYFKMSQ-UHFFFAOYSA-N
XLogP2.51
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid (CID 66590923) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid is CCOC(=O)C1CN(C(=O)O)C(CO[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid?
The InChIKey is SKRNZJVXYFKMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO6Si/c1-7-22-14(19)12-9-17(15(20)21)11(8-13(12)18)10-23-24(5,6)16(2,3)4/h11-12H,7-10H2,1-6H3,(H,20,21).
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid has a molecular weight of 359.50 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid is sourced from PubChem (CID 66590923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).