ethyl 2-(phenylmethoxycarbonylamino)-2-triethylsilylacetate

C18H29NO4Si — CID 101068064

IUPACethyl 2-(phenylmethoxycarbonylamino)-2-triethylsilylacetate
SMILESCCOC(=O)C(NC(=O)OCc1ccccc1)[Si](CC)(CC)CC
InChIInChI=1S/C18H29NO4Si/c1-5-22-17(20)16(24(6-2,7-3)8-4)19-18(21)23-14-15-12-10-9-11-13-15/h9-13,16H,5-8,14H2,1-4H3,(H,19,21)
InChIKeyGOJMQCZZVSTQSL-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.89
Rot. Bonds9

About ethyl 2-(phenylmethoxycarbonylamino)-2-triethylsilylacetate

ethyl 2-(phenylmethoxycarbonylamino)-2-triethylsilylacetate (PubChem CID 101068064) has the molecular formula C18H29NO4Si and a molecular weight of 351.52 g/mol. Its IUPAC name is ethyl 2-(phenylmethoxycarbonylamino)-2-triethylsilylacetate.

Molecular Properties

Compound Nameethyl 2-(phenylmethoxycarbonylamino)-2-triethylsilylacetate
PubChem CID101068064
Molecular FormulaC18H29NO4Si
Molecular Weight351.52 g/mol
Exact Mass351.19
IUPAC Nameethyl 2-(phenylmethoxycarbonylamino)-2-triethylsilylacetate
SMILESCCOC(=O)C(NC(=O)OCc1ccccc1)[Si](CC)(CC)CC
InChIInChI=1S/C18H29NO4Si/c1-5-22-17(20)16(24(6-2,7-3)8-4)19-18(21)23-14-15-12-10-9-11-13-15/h9-13,16H,5-8,14H2,1-4H3,(H,19,21)
InChIKeyGOJMQCZZVSTQSL-UHFFFAOYSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.89
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
Benzyl (2-oxopropyl)carbamate
CID 22747857
N-Cbz-d-alanine
CID 70832
L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-
CID 90234
Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate
CID 294932
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
N-((Phenylmethoxy)carbonyl)glycine ethyl ester
CID 14366
Methyl 2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetate
CID 294920

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(phenylmethoxycarbonylamino)-2-triethylsilylacetate?
The IUPAC name of ethyl 2-(phenylmethoxycarbonylamino)-2-triethylsilylacetate (CID 101068064) is ethyl 2-(phenylmethoxycarbonylamino)-2-triethylsilylacetate.
What is the SMILES notation for ethyl 2-(phenylmethoxycarbonylamino)-2-triethylsilylacetate?
The canonical SMILES for ethyl 2-(phenylmethoxycarbonylamino)-2-triethylsilylacetate is CCOC(=O)C(NC(=O)OCc1ccccc1)[Si](CC)(CC)CC.
What is the InChIKey of ethyl 2-(phenylmethoxycarbonylamino)-2-triethylsilylacetate?
The InChIKey is GOJMQCZZVSTQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4Si/c1-5-22-17(20)16(24(6-2,7-3)8-4)19-18(21)23-14-15-12-10-9-11-13-15/h9-13,16H,5-8,14H2,1-4H3,(H,19,21).
What are the key properties of ethyl 2-(phenylmethoxycarbonylamino)-2-triethylsilylacetate?
ethyl 2-(phenylmethoxycarbonylamino)-2-triethylsilylacetate has a molecular weight of 351.52 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(phenylmethoxycarbonylamino)-2-triethylsilylacetate is sourced from PubChem (CID 101068064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).