ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate

C28H43NO4Si — CID 11190937

IUPACethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate
SMILESCCOC(=O)[C@@H](CC)N(OCC)[C@H](c1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C28H43NO4Si/c1-9-24(27(30)31-10-2)29(32-11-3)25(22-18-14-12-15-19-22)26(23-20-16-13-17-21-23)33-34(7,8)28(4,5)6/h12-21,24-26H,9-11H2,1-8H3/t24-,25-,26+/m1/s1
InChIKeyRNYZOBLGLXLWDK-CYXNTTPDSA-N
MW485.74 g/mol
LogP7.09
Rot. Bonds12

About ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate

ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate (PubChem CID 11190937) has the molecular formula C28H43NO4Si and a molecular weight of 485.74 g/mol. Its IUPAC name is ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate
PubChem CID11190937
Molecular FormulaC28H43NO4Si
Molecular Weight485.74 g/mol
Exact Mass485.30
IUPAC Nameethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate
SMILESCCOC(=O)[C@@H](CC)N(OCC)[C@H](c1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C28H43NO4Si/c1-9-24(27(30)31-10-2)29(32-11-3)25(22-18-14-12-15-19-22)26(23-20-16-13-17-21-23)33-34(7,8)28(4,5)6/h12-21,24-26H,9-11H2,1-8H3/t24-,25-,26+/m1/s1
InChIKeyRNYZOBLGLXLWDK-CYXNTTPDSA-N
XLogP7.09
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.74
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate with MolForge

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Related Compounds

ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-3-phenylpropanoate
CID 134918633
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-3-phenylpropanoate
CID 134927879
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
ethyl (2S)-3,3-dimethyl-2-phenylbutanoate
CID 66805498
ethyl (2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropyl)-5-phenyl-4-phenylmethoxypentanoate
CID 101186285
(E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide
CID 24769790
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-3-phenylsulfanylpropanoate
CID 138975548
(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol
CID 11119358
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-2-methyl-1-phenylpentan-3-one
CID 15444578
methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate
CID 101058399
ethyl (2E,4E,7R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyl-9-phenylnona-2,4-dienoate
CID 102455634

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate?
The IUPAC name of ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate (CID 11190937) is ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate.
What is the SMILES notation for ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate?
The canonical SMILES for ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate is CCOC(=O)[C@@H](CC)N(OCC)[C@H](c1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate?
The InChIKey is RNYZOBLGLXLWDK-CYXNTTPDSA-N. The full InChI is InChI=1S/C28H43NO4Si/c1-9-24(27(30)31-10-2)29(32-11-3)25(22-18-14-12-15-19-22)26(23-20-16-13-17-21-23)33-34(7,8)28(4,5)6/h12-21,24-26H,9-11H2,1-8H3/t24-,25-,26+/m1/s1.
What are the key properties of ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate?
ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate has a molecular weight of 485.74 g/mol, XLogP of 7.09, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate is sourced from PubChem (CID 11190937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).