benzyl (2S)-1-[(2R)-3-hydroxy-2-(2-trimethylsilylethylsulfonylamino)propanoyl]piperidine-2-carboxylate

C21H34N2O6SSi — CID 11762453

IUPACbenzyl (2S)-1-[(2R)-3-hydroxy-2-(2-trimethylsilylethylsulfonylamino)propanoyl]piperidine-2-carboxylate
SMILESC[Si](C)(C)CCS(=O)(=O)N[C@H](CO)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C21H34N2O6SSi/c1-31(2,3)14-13-30(27,28)22-18(15-24)20(25)23-12-8-7-11-19(23)21(26)29-16-17-9-5-4-6-10-17/h4-6,9-10,18-19,22,24H,7-8,11-16H2,1-3H3/t18-,19+/m1/s1
InChIKeyWEPIJTPEUHJFKF-MOPGFXCFSA-N
MW470.66 g/mol
LogP1.73
Rot. Bonds10

About benzyl (2S)-1-[(2R)-3-hydroxy-2-(2-trimethylsilylethylsulfonylamino)propanoyl]piperidine-2-carboxylate

benzyl (2S)-1-[(2R)-3-hydroxy-2-(2-trimethylsilylethylsulfonylamino)propanoyl]piperidine-2-carboxylate (PubChem CID 11762453) has the molecular formula C21H34N2O6SSi and a molecular weight of 470.66 g/mol. Its IUPAC name is benzyl (2S)-1-[(2R)-3-hydroxy-2-(2-trimethylsilylethylsulfonylamino)propanoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-1-[(2R)-3-hydroxy-2-(2-trimethylsilylethylsulfonylamino)propanoyl]piperidine-2-carboxylate
PubChem CID11762453
Molecular FormulaC21H34N2O6SSi
Molecular Weight470.66 g/mol
Exact Mass470.19
IUPAC Namebenzyl (2S)-1-[(2R)-3-hydroxy-2-(2-trimethylsilylethylsulfonylamino)propanoyl]piperidine-2-carboxylate
SMILESC[Si](C)(C)CCS(=O)(=O)N[C@H](CO)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C21H34N2O6SSi/c1-31(2,3)14-13-30(27,28)22-18(15-24)20(25)23-12-8-7-11-19(23)21(26)29-16-17-9-5-4-6-10-17/h4-6,9-10,18-19,22,24H,7-8,11-16H2,1-3H3/t18-,19+/m1/s1
InChIKeyWEPIJTPEUHJFKF-MOPGFXCFSA-N
XLogP1.73
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 68762366
benzyl (2S)-1-[(2R)-2-amino-3-fluoropropanoyl]pyrrolidine-2-carboxylate
CID 54502157
benzyl (2S)-1-[(2S)-2-(diethylphosphorylamino)propanoyl]pyrrolidine-2-carboxylate
CID 70039995
benzyl (2R)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-1-[(2R)-3-hydroxy-2-(2-trimethylsilylethylsulfonylamino)propanoyl]piperidine-2-carboxylate?
The IUPAC name of benzyl (2S)-1-[(2R)-3-hydroxy-2-(2-trimethylsilylethylsulfonylamino)propanoyl]piperidine-2-carboxylate (CID 11762453) is benzyl (2S)-1-[(2R)-3-hydroxy-2-(2-trimethylsilylethylsulfonylamino)propanoyl]piperidine-2-carboxylate.
What is the SMILES notation for benzyl (2S)-1-[(2R)-3-hydroxy-2-(2-trimethylsilylethylsulfonylamino)propanoyl]piperidine-2-carboxylate?
The canonical SMILES for benzyl (2S)-1-[(2R)-3-hydroxy-2-(2-trimethylsilylethylsulfonylamino)propanoyl]piperidine-2-carboxylate is C[Si](C)(C)CCS(=O)(=O)N[C@H](CO)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-1-[(2R)-3-hydroxy-2-(2-trimethylsilylethylsulfonylamino)propanoyl]piperidine-2-carboxylate?
The InChIKey is WEPIJTPEUHJFKF-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H34N2O6SSi/c1-31(2,3)14-13-30(27,28)22-18(15-24)20(25)23-12-8-7-11-19(23)21(26)29-16-17-9-5-4-6-10-17/h4-6,9-10,18-19,22,24H,7-8,11-16H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of benzyl (2S)-1-[(2R)-3-hydroxy-2-(2-trimethylsilylethylsulfonylamino)propanoyl]piperidine-2-carboxylate?
benzyl (2S)-1-[(2R)-3-hydroxy-2-(2-trimethylsilylethylsulfonylamino)propanoyl]piperidine-2-carboxylate has a molecular weight of 470.66 g/mol, XLogP of 1.73, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-1-[(2R)-3-hydroxy-2-(2-trimethylsilylethylsulfonylamino)propanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 11762453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).