methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate

C17H29NO4Si — CID 122377254

IUPACmethyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)[C@@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C17H29NO4Si/c1-17(2,3)23(6,7)22-15(14(18)16(19)21-5)12-8-10-13(20-4)11-9-12/h8-11,14-15H,18H2,1-7H3/t14-,15-/m0/s1
InChIKeyFUXHOVXEJJICDP-GJZGRUSLSA-N
MW339.51 g/mol
LogP3.26
Rot. Bonds6

About methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate

methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate (PubChem CID 122377254) has the molecular formula C17H29NO4Si and a molecular weight of 339.51 g/mol. Its IUPAC name is methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate
PubChem CID122377254
Molecular FormulaC17H29NO4Si
Molecular Weight339.51 g/mol
Exact Mass339.19
IUPAC Namemethyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)[C@@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C17H29NO4Si/c1-17(2,3)23(6,7)22-15(14(18)16(19)21-5)12-8-10-13(20-4)11-9-12/h8-11,14-15H,18H2,1-7H3/t14-,15-/m0/s1
InChIKeyFUXHOVXEJJICDP-GJZGRUSLSA-N
XLogP3.26
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate
CID 11596486
(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-one
CID 101444869
(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-diethoxyphosphoryl-2-(4-methoxyphenyl)ethanamine
CID 10993448
methyl (2R,3S)-2,3-diamino-3-(4-methoxyphenyl)propanoate
CID 135055623
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
methyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate
CID 102513329
CID 88961149
CID 88961149
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-bis(4-methoxyphenyl)-5-oxopentanal
CID 11154956
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate
CID 10335827
tert-butyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840712
tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840713

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate (CID 122377254) is methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate is COC(=O)[C@@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate?
The InChIKey is FUXHOVXEJJICDP-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H29NO4Si/c1-17(2,3)23(6,7)22-15(14(18)16(19)21-5)12-8-10-13(20-4)11-9-12/h8-11,14-15H,18H2,1-7H3/t14-,15-/m0/s1.
What are the key properties of methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate?
methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate has a molecular weight of 339.51 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 122377254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).