(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine

C25H35NO4Si — CID 42598099

IUPAC(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine
SMILESCC1(C)O[C@H]([C@@H]2CO2)[C@@H]([C@@H](N)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C25H35NO4Si/c1-24(2,3)31(18-12-8-6-9-13-18,19-14-10-7-11-15-19)28-16-20(26)22-23(21-17-27-21)30-25(4,5)29-22/h6-15,20-23H,16-17,26H2,1-5H3/t20-,21-,22+,23+/m0/s1
InChIKeyYLONEFPHVWXNMW-MYDTUXCISA-N
MW441.64 g/mol
LogP2.81
Rot. Bonds7

About (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine

(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine (PubChem CID 42598099) has the molecular formula C25H35NO4Si and a molecular weight of 441.64 g/mol. Its IUPAC name is (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine
PubChem CID42598099
Molecular FormulaC25H35NO4Si
Molecular Weight441.64 g/mol
Exact Mass441.23
IUPAC Name(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine
SMILESCC1(C)O[C@H]([C@@H]2CO2)[C@@H]([C@@H](N)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C25H35NO4Si/c1-24(2,3)31(18-12-8-6-9-13-18,19-14-10-7-11-15-19)28-16-20(26)22-23(21-17-27-21)30-25(4,5)29-22/h6-15,20-23H,16-17,26H2,1-5H3/t20-,21-,22+,23+/m0/s1
InChIKeyYLONEFPHVWXNMW-MYDTUXCISA-N
XLogP2.81
TPSA66.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.64
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine with MolForge

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Related Compounds

(2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dimethoxymethyl)-4-fluorooxolan-3-amine
CID 172232385
(2R,3S,4S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dimethoxymethyl)-4-fluorooxolan-3-amine
CID 172396000
[(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 42597620
(1S)-1-[(4R,5R)-5-[(1S)-1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 56926124
1-amino-3-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol
CID 57386214
Whlhcdsluaaptj-acfiuoazsa-
CID 50937055
[(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 59765611
[(3aS,4R,6S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyldiazene
CID 60132739
[(3aS,4R,6S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanamine
CID 60132741
(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-amine
CID 69182839
2-(Acetylamino)-2-deoxy-6-O-[(1,1-dimethylethyl)diphenylsilyl]-1,3:4,5-bis-O-(1-methylethylidene)-D-mannitol
CID 69655539
[(3S,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 71072338

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine?
The IUPAC name of (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine (CID 42598099) is (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine.
What is the SMILES notation for (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine?
The canonical SMILES for (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine is CC1(C)O[C@H]([C@@H]2CO2)[C@@H]([C@@H](N)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine?
The InChIKey is YLONEFPHVWXNMW-MYDTUXCISA-N. The full InChI is InChI=1S/C25H35NO4Si/c1-24(2,3)31(18-12-8-6-9-13-18,19-14-10-7-11-15-19)28-16-20(26)22-23(21-17-27-21)30-25(4,5)29-22/h6-15,20-23H,16-17,26H2,1-5H3/t20-,21-,22+,23+/m0/s1.
What are the key properties of (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine?
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine has a molecular weight of 441.64 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine is sourced from PubChem (CID 42598099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).