ethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate

C14H29NO4Si — CID 25187938

IUPACethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate
SMILESCCOC(=O)[C@H](C(C)=O)[C@H](NO[Si](C)(C)C)C(C)CC
InChIInChI=1S/C14H29NO4Si/c1-8-10(3)13(15-19-20(5,6)7)12(11(4)16)14(17)18-9-2/h10,12-13,15H,8-9H2,1-7H3/t10?,12-,13-/m1/s1
InChIKeyWPIRXEJKWDIUPG-SKVSWLLESA-N
MW303.48 g/mol
LogP2.53
Rot. Bonds9

About ethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate

ethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate (PubChem CID 25187938) has the molecular formula C14H29NO4Si and a molecular weight of 303.48 g/mol. Its IUPAC name is ethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate.

Molecular Properties

Compound Nameethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate
PubChem CID25187938
Molecular FormulaC14H29NO4Si
Molecular Weight303.48 g/mol
Exact Mass303.19
IUPAC Nameethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate
SMILESCCOC(=O)[C@H](C(C)=O)[C@H](NO[Si](C)(C)C)C(C)CC
InChIInChI=1S/C14H29NO4Si/c1-8-10(3)13(15-19-20(5,6)7)12(11(4)16)14(17)18-9-2/h10,12-13,15H,8-9H2,1-7H3/t10?,12-,13-/m1/s1
InChIKeyWPIRXEJKWDIUPG-SKVSWLLESA-N
XLogP2.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 52.53
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate?
The IUPAC name of ethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate (CID 25187938) is ethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate.
What is the SMILES notation for ethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate?
The canonical SMILES for ethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate is CCOC(=O)[C@H](C(C)=O)[C@H](NO[Si](C)(C)C)C(C)CC.
What is the InChIKey of ethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate?
The InChIKey is WPIRXEJKWDIUPG-SKVSWLLESA-N. The full InChI is InChI=1S/C14H29NO4Si/c1-8-10(3)13(15-19-20(5,6)7)12(11(4)16)14(17)18-9-2/h10,12-13,15H,8-9H2,1-7H3/t10?,12-,13-/m1/s1.
What are the key properties of ethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate?
ethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate has a molecular weight of 303.48 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate is sourced from PubChem (CID 25187938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).