tert-butyl (3R)-3-[benzyl(trimethylsilyl)amino]-3-phenylpropanoate

C23H33NO2Si — CID 101235684

IUPACtert-butyl (3R)-3-[benzyl(trimethylsilyl)amino]-3-phenylpropanoate
SMILESCC(C)(C)OC(=O)C[C@H](c1ccccc1)N(Cc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C23H33NO2Si/c1-23(2,3)26-22(25)17-21(20-15-11-8-12-16-20)24(27(4,5)6)18-19-13-9-7-10-14-19/h7-16,21H,17-18H2,1-6H3/t21-/m1/s1
InChIKeyACZYUPSJPKLKDU-OAQYLSRUSA-N
MW383.61 g/mol
LogP5.80
Rot. Bonds7

About tert-butyl (3R)-3-[benzyl(trimethylsilyl)amino]-3-phenylpropanoate

tert-butyl (3R)-3-[benzyl(trimethylsilyl)amino]-3-phenylpropanoate (PubChem CID 101235684) has the molecular formula C23H33NO2Si and a molecular weight of 383.61 g/mol. Its IUPAC name is tert-butyl (3R)-3-[benzyl(trimethylsilyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[benzyl(trimethylsilyl)amino]-3-phenylpropanoate
PubChem CID101235684
Molecular FormulaC23H33NO2Si
Molecular Weight383.61 g/mol
Exact Mass383.23
IUPAC Nametert-butyl (3R)-3-[benzyl(trimethylsilyl)amino]-3-phenylpropanoate
SMILESCC(C)(C)OC(=O)C[C@H](c1ccccc1)N(Cc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C23H33NO2Si/c1-23(2,3)26-22(25)17-21(20-15-11-8-12-16-20)24(27(4,5)6)18-19-13-9-7-10-14-19/h7-16,21H,17-18H2,1-6H3/t21-/m1/s1
InChIKeyACZYUPSJPKLKDU-OAQYLSRUSA-N
XLogP5.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.61
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Butaverine
CID 189889
4-Piperidinol, 1-benzyl-2,2,6,6-tetramethyl-, hydrocinnamate
CID 64838
1-Piperidinepropionic acid, beta-phenyl-, methyl ester
CID 201865
tert-butyl (2S,3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-2-fluoro-3-phenylpropanoate
CID 11293421
2S,3S,alphaS-tert-butyl-3-(benzyl(1-phenylethyl)amino)-5-(tert-butyldimethylsilyloxy)-2-fluoropentanoate
CID 49841734
tert-butyl (2S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate
CID 135064651
tert-butyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]octanoate
CID 10716471
cis-tert-butyl (1R,2S)-2-[benzyl-[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylate
CID 10407376
Methyl 3-(benzylamino)-3-phenylpropanoate
CID 10445790
ethyl 2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]acetate
CID 11391717
Ethyl 3-(benzylamino)-3-phenylpropanoate
CID 12868359
methyl (3R)-3-(benzylamino)-3-phenylpropanoate
CID 57888538

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[benzyl(trimethylsilyl)amino]-3-phenylpropanoate?
The IUPAC name of tert-butyl (3R)-3-[benzyl(trimethylsilyl)amino]-3-phenylpropanoate (CID 101235684) is tert-butyl (3R)-3-[benzyl(trimethylsilyl)amino]-3-phenylpropanoate.
What is the SMILES notation for tert-butyl (3R)-3-[benzyl(trimethylsilyl)amino]-3-phenylpropanoate?
The canonical SMILES for tert-butyl (3R)-3-[benzyl(trimethylsilyl)amino]-3-phenylpropanoate is CC(C)(C)OC(=O)C[C@H](c1ccccc1)N(Cc1ccccc1)[Si](C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-[benzyl(trimethylsilyl)amino]-3-phenylpropanoate?
The InChIKey is ACZYUPSJPKLKDU-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H33NO2Si/c1-23(2,3)26-22(25)17-21(20-15-11-8-12-16-20)24(27(4,5)6)18-19-13-9-7-10-14-19/h7-16,21H,17-18H2,1-6H3/t21-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[benzyl(trimethylsilyl)amino]-3-phenylpropanoate?
tert-butyl (3R)-3-[benzyl(trimethylsilyl)amino]-3-phenylpropanoate has a molecular weight of 383.61 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[benzyl(trimethylsilyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 101235684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).