tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate

C21H37NO3Si — CID 10762291

IUPACtert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate
SMILESC[C@@H](c1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C21H37NO3Si/c1-16(17-13-11-10-12-14-17)18(22-19(23)25-20(2,3)4)15-24-26(8,9)21(5,6)7/h10-14,16,18H,15H2,1-9H3,(H,22,23)/t16-,18+/m0/s1
InChIKeyXTTKZPCOLJQWBW-FUHWJXTLSA-N
MW379.62 g/mol
LogP5.71
Rot. Bonds6

About tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate

tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate (PubChem CID 10762291) has the molecular formula C21H37NO3Si and a molecular weight of 379.62 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate
PubChem CID10762291
Molecular FormulaC21H37NO3Si
Molecular Weight379.62 g/mol
Exact Mass379.25
IUPAC Nametert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate
SMILESC[C@@H](c1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C21H37NO3Si/c1-16(17-13-11-10-12-14-17)18(22-19(23)25-20(2,3)4)15-24-26(8,9)21(5,6)7/h10-14,16,18H,15H2,1-9H3,(H,22,23)/t16-,18+/m0/s1
InChIKeyXTTKZPCOLJQWBW-FUHWJXTLSA-N
XLogP5.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.62
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 2733675
[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 23586136
tert-Butyl ((2S,3R)-3-hydroxy-4-((2-methylpropyl)amino)-1-phenylbutan-2-yl)carbamate
CID 9902339
Carbamic acid, N-((1R)-2-(1,1'-biphenyl)-4-YL-1-(hydroxymethyl)ethyl)-, 1,1-dimethylethyl ester
CID 71511817
tert-butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate
CID 7019371
1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]carbamate
CID 20055630
N-Boc-DL-phenylalaninol
CID 545866
tert-butyl N-[(1S)-1-[(2R,3S)-3-(2-methylpropyl)oxiran-2-yl]-2-phenylethyl]carbamate
CID 44405817
(S)-tert-Butyl (3-hydroxy-1,1-diphenylpropan-2-yl)carbamate
CID 16213633
tert-butyl N-[7-(4-butylphenyl)-1-hydroxyheptan-2-yl]carbamate
CID 177638879
tert-butyl N-[9-(4-butylphenyl)-1-hydroxynonan-2-yl]carbamate
CID 177639306
tert-butyl N-[11-(4-butylphenyl)-1-hydroxyundecan-2-yl]carbamate
CID 177639735

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate (CID 10762291) is tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate is C[C@@H](c1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate?
The InChIKey is XTTKZPCOLJQWBW-FUHWJXTLSA-N. The full InChI is InChI=1S/C21H37NO3Si/c1-16(17-13-11-10-12-14-17)18(22-19(23)25-20(2,3)4)15-24-26(8,9)21(5,6)7/h10-14,16,18H,15H2,1-9H3,(H,22,23)/t16-,18+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate?
tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate has a molecular weight of 379.62 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 10762291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).