ethyl 2-(phenylmethoxycarbonylamino)-2-trimethylsilylacetate

C15H23NO4Si — CID 101068062

IUPACethyl 2-(phenylmethoxycarbonylamino)-2-trimethylsilylacetate
SMILESCCOC(=O)C(NC(=O)OCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H23NO4Si/c1-5-19-14(17)13(21(2,3)4)16-15(18)20-11-12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3,(H,16,18)
InChIKeyPOXBHHATCHKDIQ-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.72
Rot. Bonds6

About ethyl 2-(phenylmethoxycarbonylamino)-2-trimethylsilylacetate

ethyl 2-(phenylmethoxycarbonylamino)-2-trimethylsilylacetate (PubChem CID 101068062) has the molecular formula C15H23NO4Si and a molecular weight of 309.44 g/mol. Its IUPAC name is ethyl 2-(phenylmethoxycarbonylamino)-2-trimethylsilylacetate.

Molecular Properties

Compound Nameethyl 2-(phenylmethoxycarbonylamino)-2-trimethylsilylacetate
PubChem CID101068062
Molecular FormulaC15H23NO4Si
Molecular Weight309.44 g/mol
Exact Mass309.14
IUPAC Nameethyl 2-(phenylmethoxycarbonylamino)-2-trimethylsilylacetate
SMILESCCOC(=O)C(NC(=O)OCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H23NO4Si/c1-5-19-14(17)13(21(2,3)4)16-15(18)20-11-12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3,(H,16,18)
InChIKeyPOXBHHATCHKDIQ-UHFFFAOYSA-N
XLogP2.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzyloxycarbonylglycine
CID 14349
N-carbobenzyloxyalanine
CID 736104
N-Carbobenzyloxy-D-serine-beta-lactone
CID 489183
N-Carbobenzoyl-DL-valine
CID 97743
Benzyl (2-oxopropyl)carbamate
CID 22747857
N-Cbz-d-alanine
CID 70832
Carbobenzoxyglycylglycine
CID 95686
benzyl N-(2-oxooxolan-3-yl)carbamate
CID 301122
L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-
CID 90234
Methyl 2-(2-(((benzyloxy)carbonyl)amino)acetamido)acetate
CID 297850
Benzyl 2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)acetate
CID 3244524
Glycine, N-((phenylmethoxy)carbonyl)-, ethenyl ester
CID 47309

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(phenylmethoxycarbonylamino)-2-trimethylsilylacetate?
The IUPAC name of ethyl 2-(phenylmethoxycarbonylamino)-2-trimethylsilylacetate (CID 101068062) is ethyl 2-(phenylmethoxycarbonylamino)-2-trimethylsilylacetate.
What is the SMILES notation for ethyl 2-(phenylmethoxycarbonylamino)-2-trimethylsilylacetate?
The canonical SMILES for ethyl 2-(phenylmethoxycarbonylamino)-2-trimethylsilylacetate is CCOC(=O)C(NC(=O)OCc1ccccc1)[Si](C)(C)C.
What is the InChIKey of ethyl 2-(phenylmethoxycarbonylamino)-2-trimethylsilylacetate?
The InChIKey is POXBHHATCHKDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4Si/c1-5-19-14(17)13(21(2,3)4)16-15(18)20-11-12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3,(H,16,18).
What are the key properties of ethyl 2-(phenylmethoxycarbonylamino)-2-trimethylsilylacetate?
ethyl 2-(phenylmethoxycarbonylamino)-2-trimethylsilylacetate has a molecular weight of 309.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(phenylmethoxycarbonylamino)-2-trimethylsilylacetate is sourced from PubChem (CID 101068062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).