methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate

C22H31NO3Si — CID 177394934

IUPACmethyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate
SMILESCN[C@H](C(=O)OC)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H31NO3Si/c1-17(20(23-5)21(24)25-6)26-27(22(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17,20,23H,1-6H3/t17-,20+/m1/s1
InChIKeySIDWMWSDEHQVRO-XLIONFOSSA-N
MW385.58 g/mol
LogP2.71
Rot. Bonds7

About methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate

methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate (PubChem CID 177394934) has the molecular formula C22H31NO3Si and a molecular weight of 385.58 g/mol. Its IUPAC name is methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate
PubChem CID177394934
Molecular FormulaC22H31NO3Si
Molecular Weight385.58 g/mol
Exact Mass385.21
IUPAC Namemethyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate
SMILESCN[C@H](C(=O)OC)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H31NO3Si/c1-17(20(23-5)21(24)25-6)26-27(22(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17,20,23H,1-6H3/t17-,20+/m1/s1
InChIKeySIDWMWSDEHQVRO-XLIONFOSSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate?
The IUPAC name of methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate (CID 177394934) is methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate.
What is the SMILES notation for methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate?
The canonical SMILES for methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate is CN[C@H](C(=O)OC)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate?
The InChIKey is SIDWMWSDEHQVRO-XLIONFOSSA-N. The full InChI is InChI=1S/C22H31NO3Si/c1-17(20(23-5)21(24)25-6)26-27(22(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17,20,23H,1-6H3/t17-,20+/m1/s1.
What are the key properties of methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate?
methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate has a molecular weight of 385.58 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate is sourced from PubChem (CID 177394934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).