benzyl (2R,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-ethoxy-2-oxoethyl)-5,6-diphenylmorpholine-4-carboxylate

C34H43NO6Si — CID 11421945

IUPACbenzyl (2R,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-ethoxy-2-oxoethyl)-5,6-diphenylmorpholine-4-carboxylate
SMILESCCOC(=O)C[C@@]1(O[Si](C)(C)C(C)(C)C)CN(C(=O)OCc2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C34H43NO6Si/c1-7-38-29(36)23-34(41-42(5,6)33(2,3)4)25-35(32(37)39-24-26-17-11-8-12-18-26)30(27-19-13-9-14-20-27)31(40-34)28-21-15-10-16-22-28/h8-22,30-31H,7,23-25H2,1-6H3/t30-,31+,34-/m1/s1
InChIKeyZFAMVERDWNRNBF-JSWXEYCZSA-N
MW589.81 g/mol
LogP7.81
Rot. Bonds9

About benzyl (2R,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-ethoxy-2-oxoethyl)-5,6-diphenylmorpholine-4-carboxylate

benzyl (2R,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-ethoxy-2-oxoethyl)-5,6-diphenylmorpholine-4-carboxylate (PubChem CID 11421945) has the molecular formula C34H43NO6Si and a molecular weight of 589.81 g/mol. Its IUPAC name is benzyl (2R,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-ethoxy-2-oxoethyl)-5,6-diphenylmorpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-ethoxy-2-oxoethyl)-5,6-diphenylmorpholine-4-carboxylate
PubChem CID11421945
Molecular FormulaC34H43NO6Si
Molecular Weight589.81 g/mol
Exact Mass589.29
IUPAC Namebenzyl (2R,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-ethoxy-2-oxoethyl)-5,6-diphenylmorpholine-4-carboxylate
SMILESCCOC(=O)C[C@@]1(O[Si](C)(C)C(C)(C)C)CN(C(=O)OCc2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C34H43NO6Si/c1-7-38-29(36)23-34(41-42(5,6)33(2,3)4)25-35(32(37)39-24-26-17-11-8-12-18-26)30(27-19-13-9-14-20-27)31(40-34)28-21-15-10-16-22-28/h8-22,30-31H,7,23-25H2,1-6H3/t30-,31+,34-/m1/s1
InChIKeyZFAMVERDWNRNBF-JSWXEYCZSA-N
XLogP7.81
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.81
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

benzyl (2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate
CID 11954744
benzyl (2S,3R)-6-(2-ethoxy-2-oxoethyl)-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate
CID 11442480
benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 171372709
benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
CID 90202541
benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 100997156
benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)piperidine-1-carboxylate
CID 101131554
1-O-benzyl 2-O-methyl (2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylpyrrolidine-1,2-dicarboxylate
CID 169225497
benzyl (2S,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 59730574
benzyl (2R,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 56926800
benzyl (2S,3aS,6aS)-2-(2-ethoxy-2-oxoethyl)-2-(trifluoromethyl)-3a,5,6,6a-tetrahydro-1H-pyrrolo[3,2-d][1,3]oxazole-4-carboxylate
CID 11774003
dimethyl 2-[[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidin-2-yl]methyl]propanedioate
CID 15671502
ethyl 2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-phenyl-2-(trichloromethyl)-1,3-dioxan-4-yl]acetate
CID 14530690

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-ethoxy-2-oxoethyl)-5,6-diphenylmorpholine-4-carboxylate?
The IUPAC name of benzyl (2R,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-ethoxy-2-oxoethyl)-5,6-diphenylmorpholine-4-carboxylate (CID 11421945) is benzyl (2R,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-ethoxy-2-oxoethyl)-5,6-diphenylmorpholine-4-carboxylate.
What is the SMILES notation for benzyl (2R,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-ethoxy-2-oxoethyl)-5,6-diphenylmorpholine-4-carboxylate?
The canonical SMILES for benzyl (2R,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-ethoxy-2-oxoethyl)-5,6-diphenylmorpholine-4-carboxylate is CCOC(=O)C[C@@]1(O[Si](C)(C)C(C)(C)C)CN(C(=O)OCc2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)O1.
What is the InChIKey of benzyl (2R,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-ethoxy-2-oxoethyl)-5,6-diphenylmorpholine-4-carboxylate?
The InChIKey is ZFAMVERDWNRNBF-JSWXEYCZSA-N. The full InChI is InChI=1S/C34H43NO6Si/c1-7-38-29(36)23-34(41-42(5,6)33(2,3)4)25-35(32(37)39-24-26-17-11-8-12-18-26)30(27-19-13-9-14-20-27)31(40-34)28-21-15-10-16-22-28/h8-22,30-31H,7,23-25H2,1-6H3/t30-,31+,34-/m1/s1.
What are the key properties of benzyl (2R,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-ethoxy-2-oxoethyl)-5,6-diphenylmorpholine-4-carboxylate?
benzyl (2R,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-ethoxy-2-oxoethyl)-5,6-diphenylmorpholine-4-carboxylate has a molecular weight of 589.81 g/mol, XLogP of 7.81, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-ethoxy-2-oxoethyl)-5,6-diphenylmorpholine-4-carboxylate is sourced from PubChem (CID 11421945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).