tert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate

C33H44N2O4Si — CID 10698118

IUPACtert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
SMILESC=C[C@@H]([C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C)N(O)Cc1ccccc1
InChIInChI=1S/C33H44N2O4Si/c1-8-30(35(37)24-26-18-12-9-13-19-26)29(34-31(36)39-32(2,3)4)25-38-40(33(5,6)7,27-20-14-10-15-21-27)28-22-16-11-17-23-28/h8-23,29-30,37H,1,24-25H2,2-7H3,(H,34,36)/t29-,30-/m0/s1
InChIKeyDJAUUBVGGKREFB-KYJUHHDHSA-N
MW560.81 g/mol
LogP5.90
Rot. Bonds11

About tert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate

tert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate (PubChem CID 10698118) has the molecular formula C33H44N2O4Si and a molecular weight of 560.81 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
PubChem CID10698118
Molecular FormulaC33H44N2O4Si
Molecular Weight560.81 g/mol
Exact Mass560.31
IUPAC Nametert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
SMILESC=C[C@@H]([C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C)N(O)Cc1ccccc1
InChIInChI=1S/C33H44N2O4Si/c1-8-30(35(37)24-26-18-12-9-13-19-26)29(34-31(36)39-32(2,3)4)25-38-40(33(5,6)7,27-20-14-10-15-21-27)28-22-16-11-17-23-28/h8-23,29-30,37H,1,24-25H2,2-7H3,(H,34,36)/t29-,30-/m0/s1
InChIKeyDJAUUBVGGKREFB-KYJUHHDHSA-N
XLogP5.90
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.81
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 69018009
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 23240415
tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate
CID 102155717
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-iodo-3-methoxybutan-2-yl]carbamate
CID 175133439
tert-butyl N-[(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-(triazol-2-yl)butan-2-yl]carbamate
CID 140879225
tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate
CID 130848205
benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 45142389
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ene-1-sulfonate
CID 23240416
tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate
CID 140879308
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 66637054
tert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate
CID 102278751

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate (CID 10698118) is tert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate is C=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,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate?
The InChIKey is DJAUUBVGGKREFB-KYJUHHDHSA-N. The full InChI is InChI=1S/C33H44N2O4Si/c1-8-30(35(37)24-26-18-12-9-13-19-26)29(34-31(36)39-32(2,3)4)25-38-40(33(5,6)7,27-20-14-10-15-21-27)28-22-16-11-17-23-28/h8-23,29-30,37H,1,24-25H2,2-7H3,(H,34,36)/t29-,30-/m0/s1.
What are the key properties of tert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate?
tert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate has a molecular weight of 560.81 g/mol, XLogP of 5.90, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate is sourced from PubChem (CID 10698118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).