tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate

C18H36N2O3Si — CID 58760245

IUPACtert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36N2O3Si/c1-13(2)11-14(20-16(21)22-17(3,4)5)15(12-19)23-24(9,10)18(6,7)8/h13-15H,11H2,1-10H3,(H,20,21)/t14-,15?/m0/s1
InChIKeyOVXKOHQQAIEFSV-MLCCFXAWSA-N
MW356.58 g/mol
LogP4.84
Rot. Bonds6

About tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate

tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate (PubChem CID 58760245) has the molecular formula C18H36N2O3Si and a molecular weight of 356.58 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate
PubChem CID58760245
Molecular FormulaC18H36N2O3Si
Molecular Weight356.58 g/mol
Exact Mass356.25
IUPAC Nametert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36N2O3Si/c1-13(2)11-14(20-16(21)22-17(3,4)5)15(12-19)23-24(9,10)18(6,7)8/h13-15H,11H2,1-10H3,(H,20,21)/t14-,15?/m0/s1
InChIKeyOVXKOHQQAIEFSV-MLCCFXAWSA-N
XLogP4.84
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 88701729
tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
CID 11796101
(3R,4R)-3-hydroxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 12759308
tert-butyl N-[(1R,2S)-1-cyano-4-methyl-1-phenylpentan-2-yl]carbamate
CID 101158096
tert-butyl N-(1-cyano-4-methylpentan-2-yl)carbamate
CID 14925138
tert-butyl N-(1-chloro-2-hydroxy-5-methylhexan-3-yl)carbamate
CID 14180814
tert-butyl N-[(2R,3S)-1-amino-2-hydroxy-5-methylhexan-3-yl]carbamate
CID 57207813
[(2R,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octan-4-yl] methanesulfonate
CID 58714864
tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate
CID 58901310
tert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate
CID 19817513
tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate
CID 85303813
tert-butyl N-[(4S,5S,6S)-5-hydroxy-2,6-dimethyl-7-oxooctan-4-yl]carbamate
CID 102155715

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate (CID 58760245) is tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)C(C#N)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate?
The InChIKey is OVXKOHQQAIEFSV-MLCCFXAWSA-N. The full InChI is InChI=1S/C18H36N2O3Si/c1-13(2)11-14(20-16(21)22-17(3,4)5)15(12-19)23-24(9,10)18(6,7)8/h13-15H,11H2,1-10H3,(H,20,21)/t14-,15?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate has a molecular weight of 356.58 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 58760245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).