tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate

C18H38N2O3Si — CID 73056650

IUPACtert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate
SMILESC=CCNC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38N2O3Si/c1-11-12-19-13-15(20-16(21)22-17(3,4)5)14(2)23-24(9,10)18(6,7)8/h11,14-15,19H,1,12-13H2,2-10H3,(H,20,21)/t14-,15-/m1/s1
InChIKeyZFNOZKPPVQMQPE-HUUCEWRRSA-N
MW358.60 g/mol
LogP4.07
Rot. Bonds8

About tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate

tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate (PubChem CID 73056650) has the molecular formula C18H38N2O3Si and a molecular weight of 358.60 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate
PubChem CID73056650
Molecular FormulaC18H38N2O3Si
Molecular Weight358.60 g/mol
Exact Mass358.27
IUPAC Nametert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate
SMILESC=CCNC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38N2O3Si/c1-11-12-19-13-15(20-16(21)22-17(3,4)5)14(2)23-24(9,10)18(6,7)8/h11,14-15,19H,1,12-13H2,2-10H3,(H,20,21)/t14-,15-/m1/s1
InChIKeyZFNOZKPPVQMQPE-HUUCEWRRSA-N
XLogP4.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[[(2S)-2-hydroxypropyl]amino]-1-oxobutan-2-yl]carbamate
CID 11079679
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine
CID 134860012
(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 88701729
tert-butyl N-[(3R,4S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-methylhept-6-en-3-yl]carbamate
CID 140693338
tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate
CID 58760245
tert-butyl N-[(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-diazo-2-oxopentan-3-yl]carbamate
CID 137302671
tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate
CID 58901310
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
CID 156749640
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 167628246
(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-2-prop-2-enylhexanoic acid
CID 54130199

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate (CID 73056650) is tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate is C=CCNC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate?
The InChIKey is ZFNOZKPPVQMQPE-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H38N2O3Si/c1-11-12-19-13-15(20-16(21)22-17(3,4)5)14(2)23-24(9,10)18(6,7)8/h11,14-15,19H,1,12-13H2,2-10H3,(H,20,21)/t14-,15-/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate?
tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate has a molecular weight of 358.60 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate is sourced from PubChem (CID 73056650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).