tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate

C32H44N2O4Si — CID 10886125

IUPACtert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate
SMILESC[C@H]([C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C)N(O)Cc1ccccc1
InChIInChI=1S/C32H44N2O4Si/c1-25(34(36)23-26-17-11-8-12-18-26)29(33-30(35)38-31(2,3)4)24-37-39(32(5,6)7,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h8-22,25,29,36H,23-24H2,1-7H3,(H,33,35)/t25-,29+/m1/s1
InChIKeyPKFJINOFYIJLLL-IRPSRAIASA-N
MW548.80 g/mol
LogP5.74
Rot. Bonds10

About tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate

tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate (PubChem CID 10886125) has the molecular formula C32H44N2O4Si and a molecular weight of 548.80 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate
PubChem CID10886125
Molecular FormulaC32H44N2O4Si
Molecular Weight548.80 g/mol
Exact Mass548.31
IUPAC Nametert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate
SMILESC[C@H]([C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C)N(O)Cc1ccccc1
InChIInChI=1S/C32H44N2O4Si/c1-25(34(36)23-26-17-11-8-12-18-26)29(33-30(35)38-31(2,3)4)24-37-39(32(5,6)7,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h8-22,25,29,36H,23-24H2,1-7H3,(H,33,35)/t25-,29+/m1/s1
InChIKeyPKFJINOFYIJLLL-IRPSRAIASA-N
XLogP5.74
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.80
LogP ≤ 55.74
H-Bond Donors ≤ 52
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'}

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Related Compounds

methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10580726
(2R)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-1-imine oxide
CID 11060500
tert-butyl (2S,4R)-2-[(1S)-1-[benzyl(hydroxy)amino]-3-trimethylsilylprop-2-ynyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 11082862
tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-nitro-1-phenylpropyl]carbamate
CID 11475389
tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-yn-2-yl]carbamate
CID 11802143
tert-butyl (2S,4R)-2-[(1S)-1-[benzyl(hydroxy)amino]prop-2-enyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 15441173
(Z)-N-[(2R,3R)-2-(tert-Butoxycarbonylamino)-3-(tert-butyldiphenylsilyloxy)butylidene]benzylamine N-oxide
CID 15441178
tert-butyl (2S,4R)-2-[(1R)-1-[benzyl(hydroxy)amino]-4-methoxy-4-oxobut-2-ynyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985149
tert-butyl (2S,4R)-2-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985157
tert-butyl (2S,4R)-2-[(1R)-1-[benzyl(hydroxy)amino]ethyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985158
tert-butyl (2S,4R)-2-[(1R)-1-[benzyl(hydroxy)amino]prop-2-enyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985159
tert-butyl (2S,4R)-2-[(1S)-1-[benzyl(hydroxy)amino]but-3-enyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985160

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate (CID 10886125) is tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate is C[C@H]([C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C)N(O)Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate?
The InChIKey is PKFJINOFYIJLLL-IRPSRAIASA-N. The full InChI is InChI=1S/C32H44N2O4Si/c1-25(34(36)23-26-17-11-8-12-18-26)29(33-30(35)38-31(2,3)4)24-37-39(32(5,6)7,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h8-22,25,29,36H,23-24H2,1-7H3,(H,33,35)/t25-,29+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate?
tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate has a molecular weight of 548.80 g/mol, XLogP of 5.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate is sourced from PubChem (CID 10886125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).