methyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate

C32H49NO4Si — CID 11353215

IUPACmethyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate
SMILESCOC(=O)[C@H]1OCC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H49NO4Si/c1-24(2)21-28(33(22-25-15-11-9-12-16-25)23-26-17-13-10-14-18-26)29(37-38(7,8)32(3,4)5)27-19-20-36-30(27)31(34)35-6/h9-18,24,27-30H,19-23H2,1-8H3/t27-,28-,29-,30-/m0/s1
InChIKeyYTDBEOZLXZKQGB-KRCBVYEFSA-N
MW539.83 g/mol
LogP7.07
Rot. Bonds12

About methyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate

methyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate (PubChem CID 11353215) has the molecular formula C32H49NO4Si and a molecular weight of 539.83 g/mol. Its IUPAC name is methyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate
PubChem CID11353215
Molecular FormulaC32H49NO4Si
Molecular Weight539.83 g/mol
Exact Mass539.34
IUPAC Namemethyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate
SMILESCOC(=O)[C@H]1OCC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H49NO4Si/c1-24(2)21-28(33(22-25-15-11-9-12-16-25)23-26-17-13-10-14-18-26)29(37-38(7,8)32(3,4)5)27-19-20-36-30(27)31(34)35-6/h9-18,24,27-30H,19-23H2,1-8H3/t27-,28-,29-,30-/m0/s1
InChIKeyYTDBEOZLXZKQGB-KRCBVYEFSA-N
XLogP7.07
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.83
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate 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

(3R)-3-[(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolan-2-one
CID 11785238
(3S,4R,5S)-5-[(1S)-1-(dibenzylamino)-3-methylbutyl]-4-[fluoro(dimethyl)silyl]-3-propan-2-yloxolan-2-one
CID 15928556
tert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate
CID 57138168
tert-butyl (2R,4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate
CID 69871179
methyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate
CID 10389306
methyl (2R,4S,5R,6R)-2,4-diacetyloxy-5-(dibenzylamino)-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
CID 10532485
ethyl (4S,5S)-5-(dibenzylamino)-5-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidene-4-trimethylsilyloxypentanoate
CID 10603988
[(2S)-1-methoxy-1-oxopropan-2-yl] (1R,2S,5R,6S)-8-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-8-azabicyclo[3.2.1]octane-6-carboxylate
CID 10623899
ethyl (4S,5S)-5-(dibenzylamino)-5-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-4-trimethylsilyloxypentanoate
CID 10817769
(3S,4S,5R)-5-[(1S)-1-(dibenzylamino)-3-methylbutyl]-4-[dimethyl(phenyl)silyl]-3-methyloxolan-2-one
CID 10918088
(3R,4S,5R)-5-[(1S)-1-(dibenzylamino)-3-methylbutyl]-4-[dimethyl(phenyl)silyl]-3-methyloxolan-2-one
CID 10994701
(4S,5R)-5-[(1S)-1-(dibenzylamino)-3-methylbutyl]-4-[dimethyl(phenyl)silyl]oxolan-2-one
CID 11081420

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate?
The IUPAC name of methyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate (CID 11353215) is methyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate.
What is the SMILES notation for methyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate?
The canonical SMILES for methyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate is COC(=O)[C@H]1OCC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC(C)C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate?
The InChIKey is YTDBEOZLXZKQGB-KRCBVYEFSA-N. The full InChI is InChI=1S/C32H49NO4Si/c1-24(2)21-28(33(22-25-15-11-9-12-16-25)23-26-17-13-10-14-18-26)29(37-38(7,8)32(3,4)5)27-19-20-36-30(27)31(34)35-6/h9-18,24,27-30H,19-23H2,1-8H3/t27-,28-,29-,30-/m0/s1.
What are the key properties of methyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate?
methyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate has a molecular weight of 539.83 g/mol, XLogP of 7.07, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolane-2-carboxylate is sourced from PubChem (CID 11353215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).