tert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate

C27H40N2O4Si — CID 10576853

IUPACtert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40N2O4Si/c1-20(2)19-23(28-25(31)32-26(3,4)5)24(30)29-33-34(27(6,7)8,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,20,23H,19H2,1-8H3,(H,28,31)(H,29,30)/t23-/m0/s1
InChIKeyWLRTUOCXFWPJET-QHCPKHFHSA-N
MW484.71 g/mol
LogP4.53
Rot. Bonds8

About tert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 10576853) has the molecular formula C27H40N2O4Si and a molecular weight of 484.71 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID10576853
Molecular FormulaC27H40N2O4Si
Molecular Weight484.71 g/mol
Exact Mass484.28
IUPAC Nametert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40N2O4Si/c1-20(2)19-23(28-25(31)32-26(3,4)5)24(30)29-33-34(27(6,7)8,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,20,23H,19H2,1-8H3,(H,28,31)(H,29,30)/t23-/m0/s1
InChIKeyWLRTUOCXFWPJET-QHCPKHFHSA-N
XLogP4.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.71
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 45142389
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
benzyl N-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]carbamate
CID 175450786
tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 23388437
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 23240415
benzenecarbonothioyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 141164573
2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoic acid
CID 118978221
tert-butyl N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 15030956
methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoate
CID 10392496
tert-butyl N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 40793871
benzyl (3R)-4-amino-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-oxobutanoate
CID 70618534
benzyl N-[(2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-oxopentan-2-yl]carbamate
CID 162739094

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 10576853) is tert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is WLRTUOCXFWPJET-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H40N2O4Si/c1-20(2)19-23(28-25(31)32-26(3,4)5)24(30)29-33-34(27(6,7)8,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,20,23H,19H2,1-8H3,(H,28,31)(H,29,30)/t23-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 484.71 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 10576853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).