methyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate

C22H37NO3Si — CID 135031843

IUPACmethyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate
SMILESCOC(=O)N(Cc1ccccc1)[C@](C)(CO[Si](C)(C)C(C)(C)C)C1CCC1
InChIInChI=1S/C22H37NO3Si/c1-21(2,3)27(6,7)26-17-22(4,19-14-11-15-19)23(20(24)25-5)16-18-12-9-8-10-13-18/h8-10,12-13,19H,11,14-17H2,1-7H3/t22-/m1/s1
InChIKeyFHSGHNPEXKUZSA-JOCHJYFZSA-N
MW391.63 g/mol
LogP5.84
Rot. Bonds7

About methyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate

methyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate (PubChem CID 135031843) has the molecular formula C22H37NO3Si and a molecular weight of 391.63 g/mol. Its IUPAC name is methyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate
PubChem CID135031843
Molecular FormulaC22H37NO3Si
Molecular Weight391.63 g/mol
Exact Mass391.25
IUPAC Namemethyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate
SMILESCOC(=O)N(Cc1ccccc1)[C@](C)(CO[Si](C)(C)C(C)(C)C)C1CCC1
InChIInChI=1S/C22H37NO3Si/c1-21(2,3)27(6,7)26-17-22(4,19-14-11-15-19)23(20(24)25-5)16-18-12-9-8-10-13-18/h8-10,12-13,19H,11,14-17H2,1-7H3/t22-/m1/s1
InChIKeyFHSGHNPEXKUZSA-JOCHJYFZSA-N
XLogP5.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.63
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate
CID 10740880
tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate
CID 10761228
(4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10991179
[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dibenzylamino)-3,7-dimethylocta-1,2-dienyl] N,N-di(propan-2-yl)carbamate
CID 12103454
[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dibenzylamino)-3,7-dimethyl-1-trimethylsilylocta-1,2-dienyl] N,N-di(propan-2-yl)carbamate
CID 12103455
(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-methoxyprop-1-en-2-yl)-1,3-oxazolidin-2-one
CID 135032111
[(Z)-2-[(2S,3R,4S)-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-1-en-2-ylpyrrolidin-3-yl]ethenyl] N,N-di(propan-2-yl)carbamate
CID 11785616
[(Z)-2-[(2S,3S,4R)-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-1-en-2-ylpyrrolidin-3-yl]ethenyl] N,N-di(propan-2-yl)carbamate
CID 12991460
tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate
CID 15305847
tert-butyl(2S,4S)-4-{[tert-butyl(dimethyl)silyl]oxy}-2-phenylpyrrolidine-1-carboxylate
CID 45037028
tert-butyl N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-yl]carbamate
CID 54061970
prop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate
CID 58638037

Frequently Asked Questions

What is the IUPAC name of methyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate?
The IUPAC name of methyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate (CID 135031843) is methyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate.
What is the SMILES notation for methyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate?
The canonical SMILES for methyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate is COC(=O)N(Cc1ccccc1)[C@](C)(CO[Si](C)(C)C(C)(C)C)C1CCC1.
What is the InChIKey of methyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate?
The InChIKey is FHSGHNPEXKUZSA-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H37NO3Si/c1-21(2,3)27(6,7)26-17-22(4,19-14-11-15-19)23(20(24)25-5)16-18-12-9-8-10-13-18/h8-10,12-13,19H,11,14-17H2,1-7H3/t22-/m1/s1.
What are the key properties of methyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate?
methyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate has a molecular weight of 391.63 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate is sourced from PubChem (CID 135031843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).