benzyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate

C20H35NO5Si — CID 10668516

IUPACbenzyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate
SMILESCOC(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](N)C(=O)OCc1ccccc1)OC
InChIInChI=1S/C20H35NO5Si/c1-20(2,3)27(6,7)26-16(13-17(23-4)24-5)18(21)19(22)25-14-15-11-9-8-10-12-15/h8-12,16-18H,13-14,21H2,1-7H3/t16-,18-/m0/s1
InChIKeyMWJJOUGFTHJSQX-WMZOPIPTSA-N
MW397.59 g/mol
LogP3.46
Rot. Bonds10

About benzyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate

benzyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate (PubChem CID 10668516) has the molecular formula C20H35NO5Si and a molecular weight of 397.59 g/mol. Its IUPAC name is benzyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate.

Molecular Properties

Compound Namebenzyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate
PubChem CID10668516
Molecular FormulaC20H35NO5Si
Molecular Weight397.59 g/mol
Exact Mass397.23
IUPAC Namebenzyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate
SMILESCOC(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](N)C(=O)OCc1ccccc1)OC
InChIInChI=1S/C20H35NO5Si/c1-20(2,3)27(6,7)26-16(13-17(23-4)24-5)18(21)19(22)25-14-15-11-9-8-10-12-15/h8-12,16-18H,13-14,21H2,1-7H3/t16-,18-/m0/s1
InChIKeyMWJJOUGFTHJSQX-WMZOPIPTSA-N
XLogP3.46
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate?
The IUPAC name of benzyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate (CID 10668516) is benzyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate.
What is the SMILES notation for benzyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate?
The canonical SMILES for benzyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate is COC(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](N)C(=O)OCc1ccccc1)OC.
What is the InChIKey of benzyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate?
The InChIKey is MWJJOUGFTHJSQX-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H35NO5Si/c1-20(2,3)27(6,7)26-16(13-17(23-4)24-5)18(21)19(22)25-14-15-11-9-8-10-12-15/h8-12,16-18H,13-14,21H2,1-7H3/t16-,18-/m0/s1.
What are the key properties of benzyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate?
benzyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate has a molecular weight of 397.59 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate is sourced from PubChem (CID 10668516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).