tert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid

C21H42N2O5Si — CID 67190807

IUPACtert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid
SMILESCN(C[C@H]([C@H](O)C1CCCCC1)N(C(=O)O)C(C)(C)C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C21H42N2O5Si/c1-21(2,3)23(19(25)26)17(18(24)16-11-9-8-10-12-16)15-22(4)20(27)28-13-14-29(5,6)7/h16-18,24H,8-15H2,1-7H3,(H,25,26)/t17-,18-/m1/s1
InChIKeyAMBFXCYHNGDASN-QZTJIDSGSA-N
MW430.66 g/mol
LogP4.48
Rot. Bonds8

About tert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid

tert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid (PubChem CID 67190807) has the molecular formula C21H42N2O5Si and a molecular weight of 430.66 g/mol. Its IUPAC name is tert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid
PubChem CID67190807
Molecular FormulaC21H42N2O5Si
Molecular Weight430.66 g/mol
Exact Mass430.29
IUPAC Nametert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid
SMILESCN(C[C@H]([C@H](O)C1CCCCC1)N(C(=O)O)C(C)(C)C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C21H42N2O5Si/c1-21(2,3)23(19(25)26)17(18(24)16-11-9-8-10-12-16)15-22(4)20(27)28-13-14-29(5,6)7/h16-18,24H,8-15H2,1-7H3,(H,25,26)/t17-,18-/m1/s1
InChIKeyAMBFXCYHNGDASN-QZTJIDSGSA-N
XLogP4.48
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.66
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate
CID 57462033
[(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid
CID 66861908
[(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-(2-trimethylsilylethyl)carbamic acid
CID 66862092
[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-(2-trimethylsilylethyl)carbamic acid
CID 66862519
tert-butyl-[(2S,3R)-3-hydroxy-4-[methyl(2-trimethylsilylethoxycarbonyl)amino]-1-(oxan-4-yl)butan-2-yl]carbamic acid
CID 66862803
tert-butyl-[(3R)-3-hydroxy-4-[methyl(2-trimethylsilylethoxycarbonyl)amino]-1-(oxan-4-yl)butan-2-yl]carbamic acid
CID 66862806
2-trimethylsilylethyl N-[(2R,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate
CID 67189302
2-trimethylsilylethyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate
CID 67190917
(1R,2R)-2-(t-butoxycarbonylamino)-1-cyclohexyl-3-(N-methyl-N-(2-(trimethylsilyl)ethoxycarbonyl)amino)propan-1-ol
CID 67191992
tert-butyl-[(1S,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid
CID 67192642
tert-butyl-[(1R,2R)-3-[carboxy(methyl)amino]-1-cyclohexyl-1-hydroxypropan-2-yl]carbamic acid
CID 68706534
tert-butyl-[(1S,2R)-3-[carboxy(methyl)amino]-1-cyclohexyl-1-hydroxypropan-2-yl]carbamic acid
CID 68706816

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid (CID 67190807) is tert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid is CN(C[C@H]([C@H](O)C1CCCCC1)N(C(=O)O)C(C)(C)C)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid?
The InChIKey is AMBFXCYHNGDASN-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H42N2O5Si/c1-21(2,3)23(19(25)26)17(18(24)16-11-9-8-10-12-16)15-22(4)20(27)28-13-14-29(5,6)7/h16-18,24H,8-15H2,1-7H3,(H,25,26)/t17-,18-/m1/s1.
What are the key properties of tert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid?
tert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid has a molecular weight of 430.66 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid is sourced from PubChem (CID 67190807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).